Target Poor or Non Binder(s) Information
Target General Information | Top | ||||
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Target ID | T77913 | Target Info | |||
Target Name | Histamine H1 receptor (H1R) | ||||
Synonyms |
HH1R; H1R
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Target Type | Successful Target | ||||
Gene Name | HRH1 | ||||
Biochemical Class | GPCR rhodopsin | ||||
UniProt ID |
Poor Binders of This Target (in total, 19 binders) | Download | Top | |||
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Compound Name |
Orphenadrine
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Approved | Compound Info | ||
Synonyms |
Antiflex; Biorphen; Brocadisipal; Brocasipal; Disipal; Lysantin; Mefenamine; Mephenamine; Methyldiphenylhydramine; Myolin; Myotrol; ORP; Orfenadrina; Orfro; Orphenadine; Orphenadinum; Orphenadrin; Orphenadrinum; Orphenate; Orphenedrine; Norflex Orphenadrine Citrate; Sodium Mefenamine; WS 2434; Banflex (TN); Biorphen (TN); Brocasipal (TN); Disipal (TN); Flexon (TN); Mephenamin (TN); Mialgin (TN); Norflex (TN); O-Methyldiphenhydramine; O-Monomethyldiphenhydramine; Orfenadrina [INN-Spanish]; Orphenadrine(INN); Orphenadrine [INN:BAN]; Orphenadrinum [INN-Latin]; Beta-Dimethylaminoethyl 2-methylbenzhydryl ether; Phenyl-o-tolylmethyl dimethyaminoethyl ether; Beta-Dimethylaminoethyl-2-methylbenzhydryl ether; N,N-Dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamin; N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine; N,N-dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamine; N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine; N,N-Dimethyl-2-(o-methyl-alpha-phenylbenzyl)oxy)ethylamine; N,N-Dimethyl-2-[(o-methyl-alpha-phenylbenzyl)oxy]ethylamine; N,N-dimethyl-2-{[(2-methylphenyl)(phenyl)methyl]oxy}ethanamine; 2-(Phenyl-o-tolylmethoxy)ethyldimethylamine; 2-Methyldiphenhydramine
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Activity |
IC50 = 97723.72 nM
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[1] | |||
Compound Name |
Fentanyl
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Approved | Compound Info | ||
Synonyms |
fentanyl; Fentanil; Phentanyl; Fentora; Sublimaze; Fentanila; Fentanest; Duragesic; Fentanylum; Durogesic; Sentonil; 437-38-7; Duragesic-100; IONSYS; Duragesic-25; Duragesic-75; Duragesic-50; Duragesic-12; Fentanyl-25; Fentanyl-75; Fentanyl-12; Fentanyl-50; Fentanylum [INN-Latin]; Fentanila [INN-Spanish]; Fentanyl-100; 1-Phenethyl-4-N-propionylanilinopiperidine; Matrifen; Sublimase; N-(1-Phenethylpiperidin-4-yl)-N-phenylpropionamide; N-(1-Phenethyl-4-piperidyl)propionanilide; N-Phenethyl-4-(N-propionylanilino)piperidine; Fentanil [DCIT]; Subsys; Fentanyl-37; Fentanyl-62; Fentanyl-87; Abstral; Actiq; Lazanda; Onsolis; Fentanyl Citrate; Fentanyl Citrate Preservative Free; Sublimaze Preservative Free; fentanyl (transmucosal film, pain), Auxilium Pharmaceuticals
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Activity |
IC50 = 147910.84 nM
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[1] | |||
Compound Name |
A-304121
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Investigative | Compound Info | ||
Synonyms |
A304121; A 304121
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Activity |
Ki = 69183.1 nM
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[2] | |||
Compound Name |
6-Chloro-3-(4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
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Investigative | Compound Info | ||
Synonyms |
CHEMBL468176; BDBM50261729
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Activity |
IC50 ~ 50000 nM
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[3] | |||
Compound Name |
2-(3,4-Dichlorophenyl)-1H-imidazole-4-ethaneamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL154068; BDBM50422505
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Activity |
IC50 = 50118.72 nM
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[4] | |||
Compound Name |
(4-(3-(4-((2s)-2-Aminopropanoyl)-1-piperazinyl)propoxy)phenyl)(cyclopropyl)methanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL62804; SCHEMBL7248482; BDBM50220431; PDSP1_001278; PDSP2_001262; (2S)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]propan-1-one
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Activity |
Ki = 53703.18 nM
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[2] | |||
Compound Name |
(1-{(S)-1-[3-(4-Acetyl-phenoxy)-propyl]-pyrrolidin-3-ylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL103828; BDBM50119726
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Activity |
Ki = 56000 nM
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[5] | |||
Compound Name |
((S)-1-{(S)-1-[3-(4-Acetyl-phenoxy)-propyl]-pyrrolidin-3-ylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL320174; BDBM50119718
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Activity |
Ki = 60000 nM
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[5] | |||
Compound Name |
(2R)-2-Amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]butan-1-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL302829; SCHEMBL7253301; BDBM50220430
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Activity |
Ki = 70794.58 nM
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[2] | |||
Compound Name |
((S)-1-{(S)-1-[3-(4-Acetyl-phenoxy)-propyl]-pyrrolidin-3-ylcarbamoyl}-2-hydroxy-ethyl)-carbamic acid tert-butyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL316968; BDBM50119715
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Activity |
Ki = 75000 nM
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[5] | |||
Compound Name |
(+)-(S)-N,N-Dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1091778; SCHEMBL4852438; BDBM50314267; N,N-dimethyl-2-[3-[(1S)-1-pyridin-3-ylethyl]-1-benzothiophen-2-yl]ethanamine
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Activity |
Ki = 79000 nM
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[6] | |||
Compound Name |
(1-{(S)-1-[3-(4-Acetyl-phenoxy)-propyl]-pyrrolidin-3-ylcarbamoyl}-2-hydroxy-ethyl)-carbamic acid tert-butyl ester
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Investigative | Compound Info | ||
Synonyms |
CHEMBL102390; BDBM50119700
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Activity |
Ki = 80000 nM
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[5] | |||
Compound Name |
1-{4-[3-((S)-3-Amino-pyrrolidin-1-yl)-propoxy]-phenyl}-ethanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL319231; BDBM50119696; 4'-[3-[(3S)-3beta-Aminopyrrolizino]propoxy]acetophenone
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Activity |
Ki = 90000 nM
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[5] | |||
Compound Name |
N-[(3S)-1-[3-[4-(Cyclopropylcarbonyl)phenoxy]propyl]pyrrolidine-3beta-yl]-1-methyl-1H-imidazole-4-sulfonamide
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Investigative | Compound Info | ||
Synonyms |
CHEMBL322678; BDBM50119698
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Activity |
Ki = 91000 nM
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[5] | |||
Compound Name |
1-[4-[3-[4-(Cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-2-[(2R)-pyrrolidin-2-yl]ethanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL60435; BDBM50220433
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Activity |
Ki = 95499.26 nM
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[2] | |||
Compound Name |
(2R)-2-Amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL61792; BDBM50220437
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Activity |
Ki = 95499.26 nM
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[2] | |||
Compound Name |
(2R)-2-Amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
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Investigative | Compound Info | ||
Synonyms |
CHEMBL59733; BDBM50220461
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Activity |
Ki = 100000 nM
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[2] | |||
Compound Name |
1-[4-[3-[4-(Cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-2-(methylamino)ethanone
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Investigative | Compound Info | ||
Synonyms |
CHEMBL60401; BDBM50220422
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Activity |
Ki = 100000 nM
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[2] | |||
Compound Name |
Adiphenine
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Investigative | Compound Info | ||
Synonyms |
Trasentine; Spasmolytin; Adiphenin; Difacil; Diphacil; Diphacyl; Tranzetil; Trasentin; Patrovine; Transentine; Vegantine; Trazentyna; Wegantyna; SKF 962A; Diphenylacetyldiethylaminoethanol; 2-Diethylaminoethyl diphenylacetate; Diphenylacetic acid diethylaminoethyl ester; UNII-YKG6OR043Q; 2-(Diethylamino)ethyl diphenylacetate; 2-(diethylamino)ethyl 2,2-diphenylacetate; Diphenylacetic acid, 2-(diethylamino)ethyl ester; YKG6OR043Q; Acetic acid, diphenyl-, 2-(diethylamino)ethyl ester; 2-Diethylaminoethylester kyseliny difenyloctove; Benzeneacetic acid, .alpha.-phenyl-, 2-(diethylamino)ethyl ester; Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, (9CI); Adiphenine [INN]; Wegantyna [Polish]; Trazentyna [Polish]; Adipheninum; Adifenina; Adifenina [INN-Spanish]; Adipheninum [INN-Latin]; NSC129224; HSDB 3282; EINECS 200-599-0; BRN 1887268; Benzeneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester; Diphenylessigsaeure-beta-diethylaminoethylester; Acetic acid, diphenyl-, 2-(diethylamino)ester; Diphenylacetic acid 2-(diethylamino)ethyl ester; 2-Diethylaminoethylester kyseliny difenyloctove [Czech]; 2-diethylaminoethyl 2,2-diphenylacetate; Ester dwuetyloaminoetylowy kwasu dwufenylooctowego [Polish]; Spectrum_001316; Prestwick0_000075; Prestwick1_000075; Prestwick2_000075; Prestwick3_000075; Spectrum2_001517; Spectrum3_000954; Spectrum4_001067; Spectrum5_001260; Ester dwuetyloaminoetylowy kwasu dwufenylooctowego; BSPBio_000289; CBDivE_011564; CBDivE_014652; Diphenylacetyldiethylaminoethyl; KBioGR_001394; KBioSS_001796; 4-09-00-02497 (Beilstein Handbook Reference); DivK1c_000221; SCHEMBL248213; SPBio_001593; SPBio_002210; Adiphenine chloride (Salt/Mix); BPBio1_000319; CHEMBL353846; DTXSID0022561; CTK5C1933; KBio1_000221; KBio2_001796; KBio2_004364; KBio2_006932; KBio3_002048; NINDS_000221; ZINC1717372; BDBM50395519; STK178819; AKOS003656896; Diphenylacetate du diethylamino-ethanol; MCULE-6767246073; IDI1_000221; NCGC00016221-01; NCGC00016221-02; NCGC00016221-03; NCGC00016221-04; SBI-0051763.P002; AB00053636; ST50995221; AB00053636_13; AB00053636_14; Ethanol, 2-(diethylamino)-, 2,2-diphenylacetate; 2,2-diphenylacetic acid 2-(diethylamino)ethyl ester; Q4057596; BRD-K60907894-003-04-5; BRD-K60907894-003-14-4; Benzeneacetic acid, a-phenyl-, 2-(diethylamino)ethylester
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Activity |
IC50 = 112201.85 nM
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[1] | |||
Click to Show/Hide the Information of All Poor Binders |
Non Binders of This Target (in total, 32 non binders) | Download | Top | |||
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Compound Name |
Phentolamine
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Approved | Compound Info | ||
Synonyms |
Dibasin; Fentolamin; Fentolamina; Phenotolamine; Phentalamine; Phentolaminum; Regitin; Regitine; Regitipe; Regityn; Rogitine; Phentolamine mesylate [USAN]; Phentolamine methanesulfonate; C 7337; C 7337 Ciba; Fentolamina [INN-Spanish]; Phentolamine (INN); Phentolamine [INN:BAN]; Phentolamine, methyl sulfonate; Phentolaminum [INN-Latin]; Vasomax (TN); 2-((N-(m-Hydroxyphenyl)-p-toluidino)methyl)-2-imidazoline; 2-(N'-p-Tolyl-N'-m-hydroxyphenylaminomethyl)-2-imidazoline; 2-(N-(m-Hydroxyphenyl)-p-toluidinomethyl)imidazoline; 2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline; 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol; 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
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Activity |
IC50 = 316227.77 nM
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[1] | |||
Compound Name |
(+)-(S)-N,N-Dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL1090433; SCHEMBL4843907; BDBM50314261; N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
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Activity |
IC50 = 256000 nM
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[6] | |||
Compound Name |
6-(1H-Imidazol-5-yl)hexan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL554031; SCHEMBL9220957; VUF-4732; BDBM50407522
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Activity |
Ki = 2.00E+12 nM
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[4] | |||
Compound Name |
2-Benzylthiazole-4-ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL154695; 2-(2-benzyl-4-thiazolyl)ethanamine; SBB076746; AKOS005136294; 2-[2-benzyl-1,3-thiazol-4-yl]ethylamine
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Activity |
Ki = 1.58E+13 nM
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[4] | |||
Compound Name |
8-(1H-Imidazol-5-yl)octan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL90063; VUF-4733; BDBM50407520
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Activity |
Ki = 2.51E+13 nM
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[4] | |||
Compound Name |
2-(2-Phenyl-thiazol-4-yl)-ethylamine
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Investigative | Compound Info | ||
Synonyms |
2-(2-phenyl-1,3-thiazol-4-yl)ethan-1-amine; 2-(2-Phenyl-4-thiazolyl)ethanamine; 2-(2-phenyl-1,3-thiazol-4-yl)ethylamine; 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine; 2-Phenylthiazole-4-ethanamine; CHEMBL156131; SCHEMBL14736420; CTK7E7624; 4-Thiazoleethanamine, 2-phenyl-; ZINC6341451; 2-(2-Phenylthiazol-4-yl)ethanamine; 2-(2-Phenylthiazol-4-yl)ethylamine; 7350AE; SBB027411; AKOS000303356; MCULE-8500640412; NE17830; VS-0208; ST50484951; F1967-1945; Z1331054517
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Activity |
Ki = 3.16E+13 nM
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[4] | |||
Compound Name |
9-Pyridin-2-ylnonan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL154566; BDBM50422498; ZINC13531715
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Activity |
Ki = 3.16E+13 nM
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[4] | |||
Compound Name |
2-(3-Chlorobenzyl)thiazole-4-ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL153919; AKOS012225652
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Activity |
Ki = 3.16E+13 nM
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[4] | |||
Compound Name |
1H-Imidazole-5-nonanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL345185; BDBM50422501; 9-(1H-imidazol-5-yl)nonan-1-amine
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Activity |
Ki = 5.01E+13 nM
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[4] | |||
Compound Name |
10-Pyridin-2-yldecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL154047; ZINC13531718
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Activity |
Ki = 7.94E+13 nM
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[4] | |||
Compound Name |
2-[3-(Trifluoromethyl)phenyl]thiazole-4-ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL157328; AKOS006168483
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Activity |
Ki = 7.94E+13 nM
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[4] | |||
Compound Name |
2-[2-(3-Cyclohexyl-3-phenylpropyl)-1H-imidazol-5-yl]ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL157264
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Activity |
Ki = 1.00E+14 nM
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[4] | |||
Compound Name |
2-(2,2-Diphenylethyl)-1H-imidazole-4-ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL11584
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Activity |
Ki = 1.26E+14 nM
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[4] | |||
Compound Name |
10-Pyridin-3-yldecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL157842; BDBM50422506
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Activity |
Ki = 1.26E+14 nM
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[4] | |||
Compound Name |
10-Pyridin-4-yldecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL359122; BDBM50422493
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Activity |
Ki = 2.00E+14 nM
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[4] | |||
Compound Name |
1H-Imidazole-5-decanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL94249; BDBM50407521; 10-(1H-imidazol-5-yl)decan-1-amine
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Activity |
Ki = 2.00E+14 nM
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[4] | |||
Compound Name |
5-(10-Pyrrolidin-1-yldecyl)-1H-imidazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL157217; BDBM50422503; ZINC13531708
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Activity |
Ki = 2.51E+14 nM
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[4] | |||
Compound Name |
5-(8-Pyrrolidin-1-yloctyl)-1H-imidazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL152126; BDBM50422494; ZINC13531705
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Activity |
Ki = 2.51E+14 nM
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[4] | |||
Compound Name |
12-Pyridin-4-yldodecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL157273; BDBM50422500; ZINC13531733
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Activity |
Ki = 2.51E+14 nM
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[4] | |||
Compound Name |
12-(3-Pyridyl)-1-dodecanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL152122; BDBM50422497
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Activity |
Ki = 2.51E+14 nM
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[4] | |||
Compound Name |
2-[2-[3-(Trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
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Investigative | Compound Info | ||
Synonyms |
2-(3-trifluoromethylphenyl)histamine; CHEMBL24665; 2-[3-(Trifluoromethyl)phenyl]histamine; SCHEMBL3012997; BDBM50403672; 2-(3-(trifluormethyl)phenyl)-histamine; NCGC00165906-01; L000054; 2-(3-Trifluoromethylphenyl)-1H-imidazole-4-(ethanamine)
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Activity |
Ki = 2.51E+14 nM
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[4] | |||
Compound Name |
2-[3-Phenyl-3-(4-methylphenyl)propyl]-1H-imidazole-4-(ethanamine)
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Investigative | Compound Info | ||
Synonyms |
CHEMBL153994
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Activity |
Ki = 3.16E+14 nM
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[4] | |||
Compound Name |
2-(3,3-Diphenylpropyl)-4-(2-pyrrolizinoethyl)-1H-imidazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL11879; BDBM50409190
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Activity |
Ki = 3.98E+14 nM
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[4] | |||
Compound Name |
11-(1H-Imidazol-5-yl)undecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL158352; BDBM50422502; ZINC13531693
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Activity |
Ki = 3.98E+14 nM
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[4] | |||
Compound Name |
2-[3-Phenyl-3-(4-bromophenyl)propyl]-1H-imidazole-4-(ethanamine)
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Investigative | Compound Info | ||
Synonyms |
CHEMBL346993
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Activity |
Ki = 3.98E+14 nM
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[4] | |||
Compound Name |
5-(12-Pyrrolidin-1-yldodecyl)-1H-imidazole
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Investigative | Compound Info | ||
Synonyms |
CHEMBL152221; BDBM50422499; ZINC13531711
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Activity |
Ki = 5.01E+14 nM
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[4] | |||
Compound Name |
2-(4,4-Diphenylbutyl)-1H-imidazole-4-ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL274768
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Activity |
Ki = 6.31E+14 nM
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[4] | |||
Compound Name |
2-(5,5-Diphenylpentyl)-1H-imidazole-4-ethanamine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL274767; BDBM50409187
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Activity |
Ki = 7.94E+14 nM
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[4] | |||
Compound Name |
2-(12-Aminododecyl)pyridine
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Investigative | Compound Info | ||
Synonyms |
12-pyridin-2-yldodecan-1-amine; CHEMBL157843; SCHEMBL13891482
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Activity |
Ki = 1.00E+15 nM
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[4] | |||
Compound Name |
12-(1H-Imidazol-5-yl)dodecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL155188; BDBM50422495; ZINC13531696
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Activity |
Ki = 1.00E+15 nM
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[4] | |||
Compound Name |
13-(1H-Imidazol-5-yl)tridecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL156071; BDBM50422496; ZINC13531699
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Activity |
Ki = 2.51E+15 nM
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[4] | |||
Compound Name |
14-(1H-Imidazol-5-yl)tetradecan-1-amine
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Investigative | Compound Info | ||
Synonyms |
CHEMBL155314; BDBM50422504; ZINC13531702
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Activity |
Ki = 3.98E+15 nM
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[4] | |||
Click to Show/Hide the Information of All Non Binders |
References | Top | ||||
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REF 1 | Shape-based reprofiling of FDA-approved drugs for the H1 histamine receptor. J Med Chem. 2012 Aug 23;55(16):7054-60. | ||||
REF 2 | Structure-activity relationships of non-imidazole H(3) receptor ligands. Part 2: binding preference for D-amino acids motifs. Bioorg Med Chem Lett. 2002 Aug 5;12(15):2035-7. | ||||
REF 3 | Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2. Bioorg Med Chem Lett. 2008 Aug 1;18(15):4267-74. | ||||
REF 4 | Synthesis and pharmacological identification of neutral histamine H1-receptor antagonists. J Med Chem. 2003 Dec 18;46(26):5812-24. | ||||
REF 5 | Synthesis and evaluation of potent pyrrolidine H(3) antagonists. Bioorg Med Chem Lett. 2002 Nov 4;12(21):3055-8. | ||||
REF 6 | Novel benzothiophene H1-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett. 2010 Apr 1;20(7):2316-20. |
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