Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T31424 | Target Info | |||
| Target Name | Adrenergic receptor Alpha-2 (ADRA2) | ||||
| Synonyms |
Alpha-2 adrenergic receptor; Alpha(2)-adrenoceptor
Click to Show/Hide
|
||||
| Target Type | Successful Target | ||||
| Gene Name | NO-GeName | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 27 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
SK&F-29661
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SK-29661
Click to Show/Hide
|
||||
| Activity |
Ki = 100000 nM
|
[1] | |||
| Compound Name |
2-(1,4-Benzodioxan-6-ylamino)-2-imidazoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL42139; SCHEMBL13017289; BDBM50213214
Click to Show/Hide
|
||||
| Activity |
EC50 = 56400 nM
|
[2] | |||
| Compound Name |
4-N-(4,5-Dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL506313; SCHEMBL3247162; SCHEMBL13293408; BDBM50479679
Click to Show/Hide
|
||||
| Activity |
EC50 = 59300 nM
|
[3] | |||
| Compound Name |
2-(1,4-Dihydroquinazolin-2-ylamino)ethanol;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408032
Click to Show/Hide
|
||||
| Activity |
EC50 = 60340 nM
|
[4] | |||
| Compound Name |
4-N-(4,5-Dihydro-1H-imidazol-2-yl)-1-N-methylbenzene-1,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL467525; SCHEMBL3250206; SCHEMBL13293426; BDBM50479673
Click to Show/Hide
|
||||
| Activity |
EC50 = 61400 nM
|
[3] | |||
| Compound Name |
Chembl4126954
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50270859
Click to Show/Hide
|
||||
| Activity |
Ki = 66530 nM
|
[5] | |||
| Compound Name |
2-[5-(Ethylamino)pyridin-2-yl]guanidine;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407829; BDBM50070075
Click to Show/Hide
|
||||
| Activity |
Ki = 75857.76 nM
|
[4] | |||
| Compound Name |
2-[4-(Methylamino)phenyl]guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL509581; SCHEMBL3243496; BDBM50479676
Click to Show/Hide
|
||||
| Activity |
EC50 = 82300 nM
|
[3] | |||
| Compound Name |
4-[(1,2,3,4-Tetrahydrophenanthren)-4-yl]-1H-imidazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL420652; BDBM50470864
Click to Show/Hide
|
||||
| Activity |
IC50 = 97700 nM
|
[6] | |||
| Compound Name |
5-O-[2-[[(3S)-2,3-Dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]ethyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3350238; BDBM50228236
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Chembl4129015
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50270865
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
3-[2-[4-Phenyl-1-piperazinyl]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL51963; BDBM50006950; 2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(7-Chloro-2,3-dihydro-1H-inden-4-yl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408289; CHEMBL3546398; SCHEMBL13732650; BDBM215805; BDBM50070366; US9303019, 20
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
Chembl4127048
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50270868
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
Chembl4128195
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50270869
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
N-(2-Chlorophenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2058634; SCHEMBL13733678; BDBM215804; BDBM50387826; US9303019, 13
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
3-[2-[4-(4-Methoxyphenyl)-1-piperazinyl]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL52473; BDBM50006955; 2-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
3-[2-[4-(2-Chlorophenyl)-1-piperazinyl]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL57163; SCHEMBL12648691; BDBM50006954; 2-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione; 3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrimido[5,4-b]indole-2,4-dione
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(7-Chloro-2,3-dihydro-1H-inden-4-yl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408293; CHEMBL3546401; SCHEMBL13732470; BDBM215802; BDBM50070374; US9303019, 8
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
3-Methyl-N-(7-methyl-2,3-dihydro-1H-inden-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408294; CHEMBL3546402; SCHEMBL13732760; BDBM215803; BDBM50070375; US9303019, 9
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
N-(4-Methylpyrrolidine-2-ylidene)-2-methyl-3-chloroaniline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408291; CHEMBL3547056; SCHEMBL13734212; BDBM215800; BDBM50070372; US9303019, 1
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
3-[2-[4-(4-Chlorophenyl)-1-piperazinyl]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL55338; BDBM50006951; 2-{2-[4-(4-Chloro-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(2,3-Dihydro-1H-inden-4-yl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408285; CHEMBL3546379; SCHEMBL13731705; BDBM215801; BDBM50070364; US9303019, 5
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
5-O-[2-[[Cyclohexyl(phenyl)methyl]-methylamino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL554235; BDBM50228235
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
4,4'-Di(2-imidazolidinylimino)diphenyl ether
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL244986; BDBM50476629; 4,4''''-Di(2-Imidazolidinylimino)Diphenyl Ether
Click to Show/Hide
|
||||
| Activity |
EC50 = 120000 nM
|
[2] | |||
| Compound Name |
N-(1,3-Benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL243061; SCHEMBL13017288; 1H-Imidazol-2-amine, N-1,3-benzodioxol-5-yl-4,5-dihydro-; BDBM50476639
Click to Show/Hide
|
||||
| Activity |
EC50 = 141000 nM
|
[2] | |||
| Compound Name |
2-Pyridin-3-ylguanidine;hydrochloride
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3407830; BDBM50070074
Click to Show/Hide
|
||||
| Activity |
Ki = 162181.01 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 15 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
corynanthine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Rauhimbine; 483-10-3; UNII-F5Z7C9RK8U; F5Z7C9RK8U; Corynanthin; Rauhimbin; CHEMBL31410; SMR000857089; methyl hydroxy[ ]carboxylate; A-Hydroxyyohimban-16; A-carboxylic acid methyl ester; EINECS 207-590-0; NSC 407306; Lopac-R-104; AC1L3OSP; Prestwick0_000578; Prestwick2_000578; Prestwick1_000578; Prestwick3_000578; Lopac-Y-3125; BSPBio_000396; MLS001332620; MLS001332619; SCHEMBL178061; SPBio_002615; BPBio1_000436; MEGxp0_001869; GTPL5345; CHEBI:92122; ACon1_002064; BLGXFZZNTVWLAY-DKJBZYCGSA-N; Bio1_000472; Bio1_000961
Click to Show/Hide
|
||||
| Activity |
IC50 = 211000 nM
|
[10] | |||
| Compound Name |
4-((Z)-1-Naphthalen-1-yl-propenyl)-1H-imidazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL322844; SCHEMBL7919847; ZINC13757204
Click to Show/Hide
|
||||
| Activity |
IC50 = 215400 nM
|
[6] | |||
| Compound Name |
4,4'-Di(2-imidazolidinylimino)diphenyl sulfide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL244987; BDBM50476634; 4,4''''-Di(2-Imidazolidinylimino)Diphenyl Sulfide
Click to Show/Hide
|
||||
| Activity |
EC50 = 332000 nM
|
[2] | |||
| Compound Name |
1-N-(4,5-Dihydro-1H-imidazol-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL390246; SCHEMBL13062807; BDBM50476632
Click to Show/Hide
|
||||
| Activity |
EC50 = 355000 nM
|
[2] | |||
| Compound Name |
3-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL444793; SCHEMBL11781443; CTK0J6447; DTXSID10615745; BDBM50079904; AB68609; 3-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline; 3-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline; Isoquinoline, 1,2,3,4-tetrahydro-3-(trifluoromethyl)-
Click to Show/Hide
|
||||
| Activity |
Ki = 400000 nM
|
[1] | |||
| Compound Name |
3,7-Bis(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL198896; Isoquinoline, 1,2,3,4-tetrahydro-3,7-bis(trifluoromethyl)-; BDBM50174129
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[1] | |||
| Compound Name |
3-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200560; BDBM50174122
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[1] | |||
| Compound Name |
7-Bromo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112964; 7-BROMO-1,2,3,4-TETRAHYDRO-3-(TRIFLUOROMETHYL)-ISOQUINOLINE; CTK4E9369; DTXSID00439351; BDBM50079902; AB14800; BB 0261455; 3-trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline; 7-Bromo-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline; 3-(Trifluoromethyl)-7-bromo-1,2,3,4-tetrahydroisoquinoline; Isoquinoline,7-bromo-1,2,3,4-tetrahydro-3-(trifluoromethyl)-; Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-3-(trifluoromethyl)-
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[1] | |||
| Compound Name |
7-Chloro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL196970; BDBM50174124; AB68611
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[1] | |||
| Compound Name |
Isoquinoline, 1,2,3,4-tetrahydro-7-iodo-3-(trifluoromethyl)-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200910; BDBM50174125; 7-iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[1] | |||
| Compound Name |
N-Ethyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL199008; BDBM50174117
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[1] | |||
| Compound Name |
7-Nitro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112351; Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-3-(trifluoromethyl)-; BDBM50079900; 3-trifluoromethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline; 7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline
Click to Show/Hide
|
||||
| Activity |
Ki = 1400000 nM
|
[1] | |||
| Compound Name |
3-(Hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL41647; 7-sulfonamide-THIQ 13; BDBM13023; 7-Isoquinolinesulfonamide, 1,2,3,4-tetrahydro-3-(hydroxymethyl)-; 7-Sulfamoyl-1,2,3,4-tetrahydroisoquinoline-3-methanol
Click to Show/Hide
|
||||
| Activity |
Ki = 1400000 nM
|
[1] | |||
| Compound Name |
7-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-3-(trifluoromethyl)-
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112038; BDBM50079899; 3-trifluoromethyl-7-cyano-1,2,3,4-tetrahydroisoquinoline; 3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-carbonitrile; 3-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-carbonitrile
Click to Show/Hide
|
||||
| Activity |
Ki = 2900000 nM
|
[1] | |||
| Compound Name |
7-Methanesulfonyl-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112357; BDBM50079901; 7-methylsulfonyl-3-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline; 3-(Trifluoromethyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydroisoquinoline; 7-(methylsulfonyl)-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Click to Show/Hide
|
||||
| Activity |
Ki = 3900000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inhibitors of phenylethanolamine N-methyltransferase devoid of alpha2-adrenoceptor affinity. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5319-23. | ||||
| REF 2 | Guanidine and 2-aminoimidazoline aromatic derivatives as alpha(2)-adrenoceptor antagonists, 1: toward new antidepressants with heteroatomic linkers. J Med Chem. 2007 Sep 6;50(18):4516-27. | ||||
| REF 3 | Guanidine and 2-aminoimidazoline aromatic derivatives as alpha2-adrenoceptor ligands: searching for structure-activity relationships. J Med Chem. 2009 Feb 12;52(3):601-9. | ||||
| REF 4 | alpha2-adrenoceptor antagonists: synthesis, pharmacological evaluation, and molecular modeling investigation of pyridinoguanidine, pyridino-2-aminoimidazoline and their derivatives. J Med Chem. 2015 Jan 22;58(2):963-77. | ||||
| REF 5 | Thiophene/thiazole-benzene replacement on guanidine derivatives targeting alpha 2-Adrenoceptors. Eur J Med Chem. 2017 Sep 29;138:38-50. | ||||
| REF 6 | Medetomidine analogs as alpha 2-adrenergic ligands. 2. Design, synthesis, and biological activity of conformationally restricted naphthalene deriva... J Med Chem. 1996 Jul 19;39(15):3001-13. | ||||
| REF 7 | New 1,4-dihydropyridine derivatives combining calcium antagonism and alpha-adrenolytic properties. J Med Chem. 1989 Jun;32(6):1402-7. | ||||
| REF 8 | Pyrimido[5,4-b]indole derivatives. 1. A new class of potent and selective alpha 1 adrenoceptor ligands. J Med Chem. 1991 Jun;34(6):1850-4. | ||||
| REF 9 | US patent application no. 9303019B2, Amino-pyrroline derivatives, and use thereof in the prevention and/or treatment of metabolic syndrome | ||||
| REF 10 | Recognition in molecularly imprinted polymer alpha2-adrenoreceptor mimics. Bioorg Med Chem Lett. 1996 Sep 17;6(18):2237-42. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.