Target Poor or Non Binder(s) Information
Target General Information | Top | ||||
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Target ID | T34429 | Target Info | |||
Target Name | Neuronal acetylcholine receptor alpha-7 (CHRNA7) | ||||
Synonyms |
Nicotinic acetylcholine receptor subunit alpha 7; Nicotinic acetylcholine receptor alpha7; CHRNA7; Alpha7 nicotinic receptor; Alpha7 nAChR; Alpha-7 nAChR; Alpha(7) nicotinic receptor
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Target Type | Successful Target | ||||
Gene Name | CHRNA7 | ||||
Biochemical Class | Neurotransmitter receptor | ||||
UniProt ID |
Poor Binders of This Target (in total, 51 binders) | Download | Top | |||
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Compound Name |
Bupropion
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Approved | Compound Info | ||
Synonyms |
bupropion; Amfebutamone; 34911-55-2; Amfebutamon; 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one; amfebutamonum; Amfebutamona; (+-)-Bupropion; Wellbatrin; Bupropion [INN:BAN]; 34841-39-9; Elontril; Amfebutamonum [INN-Latin]; Zyban; Amfebutamona [INN-Spanish]; Bupropion SR; AMFEBUTAMONE HCl; alpha-(tert-butylamino)-m-chloropropiophenone; CHEMBL894; BRN 2101062; (+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone; CHEBI:3219; SNPPWIUOZRMYNY-UHFFFAOYSA-N; 1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]propan-1-one; Amfebutamon; Amfebutamonum; Elont; Bupropion Hcl; Bupropion hydrocloride; Bupropion (INN); Bupropion (Old RN); Bupropion (USAN); Alpha-(tert-Butylamino)-m-chloropropiophenone; Alpha-(tert-butylamino)-m-chloropropiophenone; (-)-2-(tert-Butylamino)-3'-chloropropiophenone; (-)-2-(tert-Butylamino)-3'-chlorpropiophenon; 1-Propanone; 2-(Tert-Butylamino)-3'-chloropropiophenone
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Activity |
IC50 = 50000 nM
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[1] | |||
Compound Name |
Carbachol
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Approved | Compound Info | ||
Synonyms |
Carbach; Carbacholin; Carbacholine; Carbacholinum; Carbacholum; Carbacol; Carbacolina; Carbacolo; Carbamiotin; Carbamoylcholine; Carbastat; Carbochol; Carbocholin; Carbocholine; Carbyl; Carcholin; Coletyl; Doryl; Jestryl; Karbachol; Lentin; Lentine; Miostat; Moryl; Rilentol; Vasoperif; CARBACHOL CHLORIDE; Carbachol hydrochloride; Carbacholine chloride; Carbacholini chloridum; Carbacholinium chloratum; Carbacholum chloratum; Carbacolo [DCIT]; Carbaminocholine chloride; Carbaminoylcholine chloride; Carbamoylcholine chloride; Carbamylcholine chloride; Choline carbamate chloride; Choline chloride carbamate; Choline chlorine carbamate; Isopto Carbachol; Karbachol [Czech]; Karbamoylcholin chlorid; Karbamoylcholin chlorid [Czech]; Lentine [French]; Mistura C; C 4382; TL 457; C-1770; Carbacholum [INN-Latin]; Carbacol [INN-Spanish]; Carbamic acid, ester with choline chloride; Carbamoylcholine-hydrochloride; Carbastat (TN); Carboptic (TN); Choline chloride, carbamate; Doryl (VAN); Doryl (pharmaceutical); Gamma-Carbamoyl choline chloride; Isopto Carbachol (TN); Miostat (TN); Carbachol [INN:BAN:JAN]; Choline, chloride carbamate(ester); Choline, chloride, carbamate; P. V. Carbachol; Carbachol (JAN/USP/INN); Choline, chloride, carbamate, hydrochloride; Ethanaminium, 2-(aminocarbonyl)oxy-N,N,N-trimethyl-, chloride; Ethanaminium, 2-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, chloride; Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride; Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, chloride (1:1); (2-Carbamoyloxy-ethyl)-trimethyl-ammonium; (2-Carbamoyloxy-ethyl)-trimethyl-ammonium(Carbachol); (2-Carbamoyloxyethyl)trimethylammonium chloride; (2-Hydroxyethyl)trimethyl ammonium chloride carbamate; (2-Hydroxyethyl)trimethylammonium chloride carbamate; (carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium; 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride; 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride; 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride; 2-[(aminocarbonyl)oxy]-N,N,N-trimethylethanaminium chloride; 2-carbamoyloxyethyl(trimethyl)azanium chloride
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Activity |
Ki = 66000 nM
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[2] | |||
Compound Name |
Acetylcholine
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Approved | Compound Info | ||
Synonyms |
acetylcholine; Choline acetate; O-Acetylcholine; Acetyl choline ion; Acetylcholinum; 51-84-3; (2-Acetoxyethyl)trimethylammonium; Acetyl choline cation; Choline acetate (ester); 2-(Acetyloxy)-N,N,N-trimethylethanaminium; Ach; Azetylcholin; ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-; UNII-N9YNS0M02X; BRN 1764436; CHEBI:15355; Bromoacetylcholine; EINECS 200-128-9; CHEMBL667; N9YNS0M02X; [2-(acetyloxy)ethyl]trimethylazanium; Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI); 2-acetyloxyethyl-trimethylazanium; [3H]acetylcholine; Miochol; Miochol-e
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Activity |
EC50 = 69000 nM
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[3] | |||
Compound Name |
Nicotine
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Approved | Compound Info | ||
Synonyms |
Habitrol; Micotine; NCT; NICOTINE AND SALTS; Nicoderm Patch; Nicotina [Italian]; Nicotine Patch; Nicotine [USAN]; Nicotine replacement patch; Nicotine solution; Nictoine patch; Nikotin [German]; Nikotyna [Polish]; Transdermal Nicotine; Nicotine [UN1654] [Poison]; ENT 3,424; Habitrol (TN); Nicorette (TN); Nicotine (USP); Nicotine (compounds related to); Nicotine [BSI:ISO]; L(-)-nicotine; Beta-Pyridyl-alpha-N-methyl pyrrolidine; (-)-Nicotine solution; (2S) 3-(1-Methyl-pyrrolidin-2-yl)-pyridine; (S)-(-)-NICOTINE, 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE; (S)-(-)-Nicotine; (S)-3-(1-methylpyrrolidin-2-yl)pyridine; (S)-3-(N-methylpyrrolidin-2-yl)pyridine; (S)-Nicotine; 3-(2-(N-methylpyrrolidinyl))pyridine; 3-(N-Methylpyrollidino)pyridine; 3-(N-Methylpyrrolidino)pyridine; 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
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Activity |
EC50 = 83000 nM
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[4] | |||
Compound Name |
ABT-594
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Discontinued in Phase 2 | Compound Info | ||
Synonyms |
Tebanicline; ABT-594; 198283-73-7; Tebanicline [INN]; UNII-9KX8NKV538; CHEMBL430497; ABT594; 9KX8NKV538; (R)-5-(2-Azetidnylmethoxy)-2-chloropyridine; 5-((2R)-Azetidinylmethoxy)-2-chloropyridine; Pyridine, 5-(2-azetidnylmethoxy)-2-chloro-, (R)-; (R)-5-(azetidin-2-ylmethoxy)-2-chloropyridine; 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine; Ebanicline; TEBENICILINE; AC1MIP4S; Tebanicline(ABT-594); SCHEMBL120178; GTPL3989; DTXSID90173555; MolPort-044-727-781; MKTAGSRKQIGEBH-SSDOTTSWSA-N; EX-A2483; BCP19181; ZINC3959783; BDBM50062641
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Activity |
EC50 = 56000 nM
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[5] | |||
Compound Name |
BOLDINE
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Investigative | Compound Info | ||
Synonyms |
Boldine; 476-70-0; Uniboldina; Boldin; (S)-Boldine; Boldine chloroform; (+)-Boldine; NSC 65689; UNII-8I91GE2769; (S)-(+)-Boldine; EINECS 207-509-9; BRN 0094036; 1,10-Dimethoxy-2,9-dihydroxyaporphine; CHEMBL388342; CHEBI:3148; 1,10-Dimethoxy-6a-alpha-aporphine-2,9-diol; LZJRNLRASBVRRX-ZDUSSCGKSA-N; 8I91GE2769; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-; 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-
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Activity |
Ki = 67000 nM
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[6] | |||
Compound Name |
TC-2559
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Investigative | Compound Info | ||
Synonyms |
TC2559
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Activity |
Ki = 71000 nM
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[7] | |||
Compound Name |
DMPP
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Investigative | Compound Info | ||
Synonyms |
Dimethylphenylpiperazinium; UNII-2FLS86GK2A; 2FLS86GK2A; CHEMBL134752; 1,1-dimethyl-4-phenylpiperazin-1-ium; 114-28-3; Piperazinium, 1,1-dimethyl-4-phenyl-; Lopac-D-5891; AC1L1B7H; cid_5911; Lopac0_000400; GTPL3967; SCHEMBL3453554; DTXSID10150626; CHEBI:124985; ZINC155006; BDBM50061567; MCULE-7122222999; CCG-204493; MRF-0000344; NCGC00021930-03; NCGC00015356-03; NCGC00015356-02; NCGC00163236-01; NCGC00015356-05; NCGC00015356-04; NCGC00015356-06; NCGC00015356-01; 1,1-Dimethyl-4-phenyl-piperazin-1-ium; ZB005924; AJ-13412
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Activity |
EC50 = 95000 nM
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[4] | |||
Compound Name |
1,1-Diethyl-4-phenylpiperazin-1-ium
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3747954; SCHEMBL10115432; BDBM50241434
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Activity |
IC50 = 55000 nM
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[8] | |||
Compound Name |
4,2',5'-Trihydroxychalcone
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Investigative | Compound Info | ||
Synonyms |
2',4,5'-trihydroxychalcone; CHEMBL2297684; SCHEMBL634059; 2-Propen-1-one, 1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-; ZINC4252715; (E)-1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 2',4,5'-Trihydroxy-trans-chalcone; BDBM50027472; LMPK12120195; AKOS024286650; 4,2',5'-Trihydroxychalcone, AldrichCPR; ST095416; (2E)-1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
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Activity |
EC50 = 56000 nM
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[9] | |||
Compound Name |
[(2S)-1-Methylpyrrolidin-2-yl]methyl 6-chloropyridine-3-carboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2381564; BDBM50433568
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Activity |
IC50 = 58500 nM
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[10] | |||
Compound Name |
[(2S)-1-Methylpyrrolidin-2-yl]methyl 6-phenylmethoxypyridine-3-carboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2381567; BDBM50433565
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Activity |
IC50 = 59100 nM
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[10] | |||
Compound Name |
[3-(2,3,4,5-Tetrahydropyridin-6-yl)phenyl]methanol
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3759208; BDBM50139124
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Activity |
EC50 = 60000 nM
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[11] | |||
Compound Name |
(E)-3-(2,4-Dihydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3335594; BDBM50027486
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Activity |
EC50 = 67000 nM
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[9] | |||
Compound Name |
1-Ethyl-4-phenylthiomorpholin-1-ium;trifluoromethanesulfonate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4061049; BDBM50241432
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Activity |
IC50 = 73000 nM
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[8] | |||
Compound Name |
[(2S)-1-Methylpyrrolidin-2-yl]methyl quinoline-3-carboxylate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2381565; BDBM50433567
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Activity |
IC50 = 97300 nM
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[10] | |||
Compound Name |
(1R,16R)-16-Methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL335712; BDBM50061562; CCG-36452; ZINC53022008; (12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro-8H-pyrano[4'',3'':3,4]pyrido[2,1-i]indol-2-one
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Activity |
IC50 = 98000 nM
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[1] | |||
Compound Name |
6-Methoxy-1,2-propano-1,2,3,4-tetrahydroisoquinoline
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4097292; BDBM50270404
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Activity |
EC50 ~ 100000 nM
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[12] | |||
Compound Name |
2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyridin-2-yl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2179518; BDBM50397911; AKOS015555214
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Activity |
Ki = 100000 nM
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[7] | |||
Compound Name |
6,7-Dimethoxy-2-methyl-2-propyl-3,4-dihydro-1H-isoquinolin-2-ium;iodide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4061094; BDBM50270394
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Activity |
IC50 ~ 100000 nM
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[12] | |||
Compound Name |
1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoline
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4073899; Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-; benzoindolizidine; SCHEMBL2811534; 1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline; BDBM50270373
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Activity |
IC50 = 100000 nM
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[12] | |||
Compound Name |
2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[(1S,2S)-2-methylcyclopropyl]methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2409484; BDBM50437475
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Activity |
Ki = 100000 nM
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[13] | |||
Compound Name |
O-Methylcorypalline
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Investigative | Compound Info | ||
Synonyms |
N-Methylheliamine; 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline; 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline; ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-; N-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-; 6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE; CHEMBL555787; BRN 0011592; N-Methyl-corypalline; NSC280726; 5-21-04-00479 (Beilstein Handbook Reference); SCHEMBL5525085; CHEMBL1196025; CTK4D2283; DTXSID90168082; ZINC391550; BDBM50014648; AKOS015872575; MCULE-1979767083; NSC-280726; DS-011314; ST50405883; 3,4-dihydro-6,7-dimethoxy-2-methyl-isoquinoline; AE-508/40920516; 1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-Isoquinoline; 1,2,3,4-Tetrahydroisoquinoline, 6,7-dimethoxy-N-methyl-; 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline #
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Activity |
IC50 ~ 100000 nM
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[12] | |||
Compound Name |
[20-[[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl-dimethyl-[(4-nitrophenyl)methyl]azanium;dibromide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL229999
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Activity |
IC50 = 100000 nM
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[14] | |||
Compound Name |
6-Methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
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Investigative | Compound Info | ||
Synonyms |
1,2,3,4-Tetrahydro-6-methoxy-2-methylisoquinoline; 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline; CHEMBL4075463; ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-; BRN 0132986; 5-21-02-00327 (Beilstein Handbook Reference); SCHEMBL14340583; CTK1H1450; DTXSID50203382; ZINC1999215; BDBM50270375; MFCD01717130; AKOS025149795; 1,2,3,4-Tetrahydro-2-methyl-6-methoxyisoquinoline
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Activity |
IC50 ~ 100000 nM
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[12] | |||
Compound Name |
(10Bs)-8,9-dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4086188; BDBM50270363; ZINC13410663
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Activity |
IC50 ~ 100000 nM
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[12] | |||
Compound Name |
Polygodial
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Investigative | Compound Info | ||
Synonyms |
Tadeonal; Poligodial; (-)-Polygodial; Tadeodal; Drim-7-ene-11,12-dial; UNII-5FAF7T66M7; 5FAF7T66M7; CHEMBL254550; NSC372407; (-)-Tadeonal; Polygodial, (+/-)-; CCRIS 1712; 1,4,4a,5,6,7,8,8a-Octahydro-5,5,8a-trimethyl-1,2-naphthalenedicarboxaldehyde; QUIRAL TADEODAL; Polygodial (Tadeonal); SCHEMBL258239; CTK5C6296; GTPL10293; ZINC4098293; BDBM50318479; AKOS024457471; NSC-372407; NCI60_003460; B7311; C09712; Q3395581; UNII-A00RAV0W57 component AZJUJOFIHHNCSV-KCQAQPDRSA-N
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Activity |
IC50 ~ 100000 nM
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[15] | |||
Compound Name |
(+)-Crispine A
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4077320; BDBM50270362; ZINC13410667
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Activity |
EC50 ~ 100000 nM
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[12] | |||
Compound Name |
8,9-Dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
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Investigative | Compound Info | ||
Synonyms |
Crispine A; CHEMBL3235509; BDBM50006633; 8,9-dimethoxy-2,3,4,5,6,10b-hexahydro-1H-pyrrolo[2,1-a]isoquinoline
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Activity |
EC50 ~ 100000 nM
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[12] | |||
Compound Name |
Trimethyl-[[20-[(trimethylazaniumyl)methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl]azanium;diiodide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL382243
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Activity |
IC50 = 100000 nM
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[14] | |||
Compound Name |
2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(furan-3-yl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2179559; SCHEMBL584197; BDBM50397917; AKOS015554416
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Activity |
Ki = 100000 nM
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[7] | |||
Compound Name |
(1S)-16-Methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4073773; BDBM50270396; 1,6-Didehydro-14,17-dihydro-3-methoxy-16(15H)-oxaerythrinan-15-one
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Activity |
IC50 = 100000 nM
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[12] | |||
Compound Name |
2,3,3a,4,6,6a-Hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-methoxyphenyl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2179520; BDBM50397909; AKOS015556595
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Activity |
Ki = 100000 nM
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[7] | |||
Compound Name |
1-[(1R,5S)-8-Azabicyclo[3.2.1]oct-2-en-2-yl]ethanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2332145; (?)-Norferruginine; BDBM50428368
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Activity |
Ki = 100000 nM
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[16] | |||
Compound Name |
[20-[[Dimethyl(prop-2-enyl)azaniumyl]methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl-dimethyl-prop-2-enylazanium;dibromide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL206666
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Activity |
IC50 = 100000 nM
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[14] | |||
Compound Name |
2,5-Difluoro-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]aniline
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3219577
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Activity |
Ki ~ 100000 nM
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[17] | |||
Compound Name |
(3Ar,6aS)-5-(5-ethoxypyridin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
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Investigative | Compound Info | ||
Synonyms |
SCHEMBL650001; CHEMBL3216012
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Activity |
EC50 ~ 100000 nM
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[18] | |||
Compound Name |
3-(1,4-Diazabicyclo[3.2.2]nonane-4-yl)dibenzothiophene 5,5-dioxide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1950167; SCHEMBL1793916; BDBM50364856; 3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)dibenzothiophene 5,5-dioxide; 4-(5,5-Dioxo-5H-5lambda6-dibenzothiophen-3-yl)-1,4-diazabicyclo[3.2.2]nonane
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Activity |
EC50 ~ 100000 nM
|
[19] | |||
Compound Name |
(3Ar,6aS)-5-(5-phenylpyridin-3-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
Synonyms |
CHEMBL496667
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Activity |
EC50 ~ 100000 nM
|
[18] | |||
Compound Name |
Thiacloprid
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Investigative | Compound Info | ||
Synonyms |
Calypso; (Z)-thiacloprid; (3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide; (E)-thiacloprid; UNII-DSV3A944A4; [3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide; Cyanamide, [3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]-; CHEMBL451432; DSV3A944A4; {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide; {3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide; Calypso 70WG; [3-(6-Chloro-3-pyridinylmethyl)-2-thiazolidinylidene]cyanamide; [3-[(6-chloro-3-pyridinyl)methyl]-2-thiazolidinylidene]cyanamide; Thiacloprid [ISO:BSI]; Cyanamide, (3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)-; HSDB 7268; (Z)-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide; DSSTox_CID_14961; DSSTox_RID_79228; DSSTox_GSID_34961; SCHEMBL26490; SCHEMBL26491; SCHEMBL237347; DTXSID7034961; CTK8G5807; HY-B1953; Tox21_300697; BDBM50251868; MFCD09028056; ZINC13828082; AKOS015897524; ZINC100057010; ZINC255976955; DB08620; CID 6011129; NCGC00164441-01; NCGC00164441-02; NCGC00164441-03; NCGC00164441-04; NCGC00254605-01; AS-35094; AT-19629; Thiacloprid 10 microg/mL in Acetonitrile; DB-017476; CS-0014056; FT-0657423; C18512; Thiacloprid, PESTANAL(R), analytical standard; 988T499; A802461; Q416283; J-002682; Q63408702; Thiacloprid, certified reference material, TraceCERT(R); N-(3-((6-Chloropyridin-3-yl)methyl)thiazolidin-2-ylidene)cyanamide; (E)-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide; (E)-N-(3-((6-chloropyridin-3-yl)methyl)thiazolidin-2-ylidene)cyanamide; (Z)-3-(6-chloro-3-pyridylmethyl)-1,3-thiazolidin-2-ylidenecyanamide; (Z)-N-(3-((6-Chloropyridin-3-yl)methyl)thiazolidin-2-ylidene)cyanamide; [3-[(6-chloranylpyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide; N-(3-(6-chloro-pyridin-3-ylmethyl)-thiazolidin-2-ylidene)-cyanamide
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Activity |
IC50 = 100000 nM
|
[20] | |||
Compound Name |
(+)-Pyrido[3,4-b]homotropane
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Investigative | Compound Info | ||
Synonyms |
CHEMBL149667; (-)-pyrido[3,4-b]homotropane; (+/-)-pyrido[3,4-b]homotropane; BDBM50023331; 5,6,7,8,9,10-Hexahydro-7,10-iminocycloocta[c]pyridine; 4,13-Diaza-tricyclo[8.2.1.0*2,7*]trideca-2(7),3,5-triene; 4,13-Diaza-tricyclo[8.2.1.0*2,7*]trideca-2(7),3,5-triene(PHT)
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Activity |
Ki ~ 100000 nM
|
[21] | |||
Compound Name |
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(4-methoxyphenyl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2179523; BDBM50397906
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Activity |
Ki = 100000 nM
|
[7] | |||
Compound Name |
Corypalline
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Investigative | Compound Info | ||
Synonyms |
CHEMBL593001; NSC131674; 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; SCHEMBL20683185; CTK4I8584; DTXSID60299630; ZINC338406; BDBM50006640; NSC-131674; 2-methyl-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline
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Activity |
EC50 ~ 100000 nM
|
[12] | |||
Compound Name |
(1R,3Ar,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1-((pyridin-3-yloxy)methyl)octahydropyrrolo[3,4-c]pyrrole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL589888; BDBM50305368
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Activity |
EC50 ~ 100000 nM
|
[22] | |||
Compound Name |
Dendocarbin A
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Investigative | Compound Info | ||
Synonyms |
(1R,5aS,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one; CHEMBL512505; BDBM50465351; ZINC40894591; AKOS032961791
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Activity |
IC50 ~ 100000 nM
|
[15] | |||
Compound Name |
Hydrohydrastinine
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Investigative | Compound Info | ||
Synonyms |
Hydrohydrastinin; 6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline; UNII-7UYL6N5J89; MLS002706489; 7UYL6N5J89; CHEMBL2140445; EINECS 207-792-9; SCHEMBL1760693; DTXSID80197785; 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline; ZINC1703993; 6695AB; BDBM50006638; Norhydrastinine,2-dihydro-2-methyl-; NSC112975; AKOS016008780; MCULE-3541700834; NSC-112975; NCGC00246722-01; SMR001573894; 1,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-; Q27268880; 1,3-Dioxolo[4,5-g]isoquinoline, 5,6,7,8-tetrahydro-6-methyl-
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Activity |
EC50 ~ 100000 nM
|
[12] | |||
Compound Name |
6,7-Dimethoxy-2-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-2-ium;bromide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL4071054; BDBM50270393
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Activity |
IC50 ~ 100000 nM
|
[12] | |||
Compound Name |
3-(2-Chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL504947; BDBM50264884
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Activity |
EC50 ~ 100000 nM
|
[23] | |||
Compound Name |
(E)-3-(2,4-Dihydroxyphenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3335592; SCHEMBL19236264; BDBM50027474
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Activity |
EC50 = 125000 nM
|
[9] | |||
Compound Name |
Nornicotine
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Investigative | Compound Info | ||
Synonyms |
3-(pyrrolidin-2-yl)pyridine; 3-(2-Pyrrolidinyl)pyridine; 3-pyrrolidin-2-ylpyridine; (R,S)-Nornicotine; (+-)-Nornicotine; 2-(3-Pyridyl)pyrrolidine; 3-pyrrolidin-2-yl-pyridine; (+/-)-Nornicotine; 3-(2-Pyrrolidyl)pyridine; (+-)-1'-Demethylnicotine; DL-NORNICOTINE; (+-)-3-(2-Pyrrolidinyl)pyridine; (RS)-nornicotine; MFCD00016913; DL-2-(3-PYRIDYL)PYRROLIDINE; CHEMBL1132; SMR000449277; (+/-)Nornicotine; (S)-2-(3-Pyridyl)pyrrolidine; (S)-3-Pyrrolidin-2-yl-pyridine; rac-Nornicotine; dl-Norcitine; Pyridine, 3-(2-pyrrolidinyl)-, (S)-; Nicotine, 1'-demethyl-, (+-)-; Nornicotine, 97%; .beta.-dl-Nornicotine; PubChem15004; PubChem16040; ACMC-1BBGF; (.+/-.)-Nornicotine; Nicotine Related Compound F; (+/-)-Nornicotine solution; KSC495K0B; MLS000758240; MLS001424032; (+-)-1'-demethyl-Nicotine; SCHEMBL158145; 3-(pyrolidin-2-yl)-pyridine; SCHEMBL13090363; AMPD00301; CTK3J5500; (.+/-.)-1'-Demethylnicotine; 3-Pyrrolidin-2-ylpyridine, 95%; HMS2051O11; HMS2232N03; HMS3372K03; HMS3393O11; 2-(3-PYRIDINYL)PYRROLIDINE; 3,3,4,4-Isophthaloydiphthalicacid; 8459AB; ANW-49652; AR1067; BBL004930; BDBM50023328; STL139255; AKOS001428655; AKOS016050380; AB01223; ACN-049240; CCG-100790; CS-W002112; GF-0112; MCULE-5742121668; NC00040; SB37747; VP14443; NCGC00163364-01; Nicotine, 1'-demethyl-, (.+/-.)-; AC-10074; AK-30521; AK-75905; BR-30521; SC-29443; SY023448; AB0052616; DB-021745; AM20061865; BB 0249476; FT-0635832; FT-0673119; ST50824149; EN300-23749; (+/-)-Nornicotine, >=98% (TLC), liquid; B-1538; C06524; Pyridine, 3-(2-pyrrolidinyl)-, (.+/-.)-; 746N861; Pyridine, 3-(2-pyrrolidinyl)-, (+-)- (9CI); Q907939; J-510969; 3-[(2RS)-Pyrrolidin-2-yl]pyridine ((RS)-Nornicotine); Z278210538
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Activity |
Ki = 138000 nM
|
[21] | |||
Compound Name |
[1-[(3-Hydroxyphenyl)methyl]indol-3-yl]methyl-trimethylazanium;iodide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL3133445
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Activity |
Ki = 145000 nM
|
[24] | |||
Click to Show/Hide the Information of All Poor Binders |
Non Binders of This Target (in total, 28 non binders) | Download | Top | |||
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Compound Name |
ABT-418
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Discontinued in Phase 2 | Compound Info | ||
Synonyms |
Abt-418; Abt 418; 147402-53-7; 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole; CHEMBL274525; (S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole; (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole; C9H14N2O; Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)-; Isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (S)-; Isoxazole, 3-methyl-5-[(2S)-1-methyl-2-pyrrolidinyl]-; 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole; AC1L3OPH; SCHEMBL194161; DTXSID10163711; ILLGYRJAYAAAEW-QMMMGPOBSA-N; ZINC3786099; BDBM50035398
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Activity |
EC50 = 264000 nM
|
[4] | |||
Compound Name |
5-hydroxyindole
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Investigative | Compound Info | ||
Synonyms |
5-Hydroxyindole; 1H-Indol-5-ol; 1953-54-4; INDOL-5-OL; 5-Hydroxy-1H-indole; Hydroxy-5 indole; 5-Indolol; UNII-320UN7XZYN; Hydroxy-5-indole; Hydroxy-5 indole [French]; CCRIS 4422; 5-Hydroxyindole, 97%; EINECS 217-782-6; MFCD00005677; NSC 87503; BRN 0112349; 320UN7XZYN; CHEBI:89649; LMIQERWZRIFWNZ-UHFFFAOYSA-N; NSC-87503; 5-hydroxy-indole; Hydroxy-5 indole [French]; 5-hydroxylindole; 5-hydroxy-indol; 5-hydroxy indole; 3fuh; 5H1; zlchem 359; 5Hydroxy-1H-indole; PubChem7263; 1-H-indol-5-ol; 1H-indol-5-ol.; 4b3c; ACMC-1BQT3; WLN: T56 BMJ GQ
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Activity |
EC50 = 1000000 nM
|
[25] | |||
Compound Name |
Desformylflustrabromine-B
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Investigative | Compound Info | ||
Synonyms |
CHEMBL230348; Deformylflustrabromine B; BDBM50217054
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Activity |
IC50 = 209000 nM
|
[26] | |||
Compound Name |
3-Nitrobenzoic acid [(2S)-1-methylpyrrolidine-2-yl]methyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL2381569; BDBM50433571
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Activity |
Ki = 232000 nM
|
[10] | |||
Compound Name |
7-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
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|
Investigative | Compound Info | ||
Synonyms |
CHEMBL71486; SCHEMBL17691520; BDBM50071366
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Activity |
EC50 > 300000 nM
|
[1] | |||
Compound Name |
3-(Dimethylamino)butyl 3-methylazetidine-1-carboxylate;oxalic acid
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1202079
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Activity |
EC50 > 316227.77 nM
|
[27] | |||
Compound Name |
5-Methyl-4,13-diazatricyclo[8.2.1.02,7]trideca-2(7),3,5-triene
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Investigative | Compound Info | ||
Synonyms |
CHEMBL366923; BDBM50160557; 5-Methyl-4,13-diaza-tricyclo[8.2.1.0*2,7*]trideca-2(7),3,5-triene
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Activity |
Ki ~ 1000000 nM
|
[21] | |||
Compound Name |
3-Cyclopropyl-3-(dimethylamino)propyl dimethylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL480799; BDBM50254601
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
O-3-(Dimethylamino)butyl dimethylcarbamothioate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL468903; BDBM50254542
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL448084; BDBM50254543
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Activity |
Ki = 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)-4-hydroxybutyl dimethylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL480798; BDBM50254600
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
5-(Dimethylamino)-N-methylhex-2-enamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL503940; BDBM50254540
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl carbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL449334; BDBM50254483
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)-3-(thiophen-3-yl)propyl dimethylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL479015; BDBM50254602
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Activity |
Ki = 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl methyl(phenyl)carbamate
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|
Investigative | Compound Info | ||
Synonyms |
CHEMBL479623; BDBM50254605
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|
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Activity |
Ki = 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl 2-hydroxyethyl(methyl)carbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL479622; BDBM50254604
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl benzyl(methyl)carbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL500318; BDBM50254482
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Activity |
Ki = 1000000 nM
|
[28] | |||
Compound Name |
1-(3-(Dimethylamino)butyl)-3-phenylurea
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Investigative | Compound Info | ||
Synonyms |
CHEMBL449566; BDBM50254599
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
5-(Dimethylamino)-N,N-dimethylhex-2-enamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL468697; BDBM50254541
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl ethylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL451633; BDBM50254484
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(3-(Dimethylamino)butyl)-1,1-dimethylurea
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Investigative | Compound Info | ||
Synonyms |
CHEMBL457965; BDBM50254598
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
S-3-(Dimethylamino)butyl dimethylcarbamothioate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL480797; BDBM50254597
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl 4-chlorophenyl(methyl)carbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL499575; BDBM50254480
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Activity |
Ki = 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)-3-phenylpropyl dimethylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL479429; BDBM50254603
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Activity |
Ki = 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl propylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL466399; BDBM50254485
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl 4-cyanophenyl(methyl)carbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL466398; BDBM50254481
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Activity |
Ki = 1000000 nM
|
[28] | |||
Compound Name |
5-(Dimethylamino)-N,N-dimethylhexanamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL445169; BDBM50254539
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Activity |
Ki > 1000000 nM
|
[28] | |||
Compound Name |
3-(Dimethylamino)butyl 2-hydroxyethylcarbamate
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Investigative | Compound Info | ||
Synonyms |
CHEMBL501227; BDBM50254486
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Activity |
Ki > 1000000 nM
|
[28] | |||
Click to Show/Hide the Information of All Non Binders |
References | Top | ||||
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REF 1 | Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations. J Med Chem. 2005 Jul 28;48(15):4705-45. | ||||
REF 2 | Design, synthesis and binding affinity of acetylcholine carbamoyl analogues. Bioorg Med Chem Lett. 2013 Dec 1;23(23):6481-5. | ||||
REF 3 | Exploring alpha7-Nicotinic Receptor Ligand Diversity by Scaffold Enumeration from the Chemical Universe Database GDB. ACS Med Chem Lett. 2010 Jul 20;1(8):422-6. | ||||
REF 4 | Neuronal nicotinic acetylcholine receptors as targets for drug discovery. J Med Chem. 1997 Dec 19;40(26):4169-94. | ||||
REF 5 | Identification and initial structure-activity relationships of (R)-5-(2-azetidinylmethoxy)-2-chloropyridine (ABT-594), a potent, orally active, non-opiate analgesic agent acting via neuronal nicotinic acetylcholine receptors. J Med Chem. 1998 Feb 12;41(4):407-12. | ||||
REF 6 | Aporphine metho salts as neuronal nicotinic acetylcholine receptor blockers. Bioorg Med Chem. 2007 May 15;15(10):3368-72. | ||||
REF 7 | Discovery of 3-(5-chloro-2-furoyl)-3,7-diazabicyclo[3.3.0]octane (TC-6683, AZD1446), a novel highly selective alpha4beta2 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders. J Med Chem. 2012 Nov 8;55(21):9181-94. | ||||
REF 8 | Sulfonium as a Surrogate for Ammonium: A New alpha7 Nicotinic Acetylcholine Receptor Partial Agonist with Desensitizing Activity. J Med Chem. 2017 Sep 28;60(18):7928-7934. | ||||
REF 9 | Chalcones as positive allosteric modulators of alpha7 nicotinic acetylcholine receptors: a new target for a privileged structure. Eur J Med Chem. 2014 Oct 30;86:724-39. | ||||
REF 10 | Neonicotinic analogues: selective antagonists for alpha42 nicotinic acetylcholine receptors. Bioorg Med Chem. 2013 May 15;21(10):2687-94. | ||||
REF 11 | Modification of the anabaseine pyridine nucleus allows achieving binding and functional selectivity for the alpha34 nicotinic acetylcholine receptor subtype. Eur J Med Chem. 2016 Jan 27;108:392-405. | ||||
REF 12 | Dual Nicotinic Acetylcholine Receptor alpha42 Antagonists/alpha7 Agonists: Synthesis, Docking Studies, and Pharmacological Evaluation of Tetrahydroisoquinolines and Tetrahydroisoquinolinium Salts. J Med Chem. 2018 Feb 22;61(4):1719-1729. | ||||
REF 13 | Novel nicotinic acetylcholine receptor agonists containing carbonyl moiety as a hydrogen bond acceptor. Bioorg Med Chem Lett. 2013 Jul 1;23(13):3927-34. | ||||
REF 14 | Pharmacological characteristics and binding modes of caracurine V analogues and related compounds at the neuronal alpha7 nicotinic acetylcholine re... J Med Chem. 2007 Sep 20;50(19):4616-29. | ||||
REF 15 | Drimane Sesquiterpenoids Noncompetitively Inhibit Human alpha42 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human alpha34 and alpha7 Subtypes. J Nat Prod. 2018 Apr 27;81(4):811-817. | ||||
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