Target Validation Information
TTD ID T84621
Target Name Steroid 11-beta-hydroxylase (CYP11B1)
Type of Target
Successful
Drug Potency against Target Metyrapone Drug Info Ki = 140 uM [15]
Drug Info IC50 = 422 nM [11]
Drug Info IC50 = 522 nM [11]
Drug Info IC50 = 373 nM [6]
Drug Info IC50 = 7050 nM [14]
Drug Info IC50 = 709 nM [9]
Drug Info IC50 = 25 nM [9]
Drug Info IC50 = 1515 nM [1]
Drug Info IC50 = 130 nM [9]
Drug Info IC50 = 7720 nM [14]
Drug Info IC50 = 660 nM [14]
Drug Info IC50 = 955 nM [1]
Drug Info IC50 = 311 nM [1]
Drug Info IC50 = 1291 nM [5]
Drug Info IC50 = 320 nM [1]
Drug Info IC50 = 1977 nM [8]
Drug Info IC50 = 10000 nM [13]
Drug Info IC50 = 304 nM [1]
Drug Info IC50 = 287 nM [11]
(3-((1H-imidazol-1-yl)methyl)phenyl)methanol Drug Info IC50 = 206 nM [9]
(4-((1H-imidazol-1-yl)methyl)phenyl)methanol Drug Info IC50 = 695 nM [9]
1-(3,4-dihydronaphthalen-2-yl)-1H-imidazole Drug Info IC50 = 639 nM [5]
1-(3-Bromobenzyl)-1H-imidazole Drug Info IC50 = 143 nM [9]
1-(3-Chlorobenzyl)-1H-imidazole Drug Info IC50 = 151 nM [9]
1-(3-Fluorobenzyl)-1H-imidazole Drug Info IC50 = 206 nM [9]
1-(3-Methoxy-naphthalen-2-yl)-1H-imidazole Drug Info IC50 = 81 nM [3]
1-(4-Aminobenzyl)-1H-imidazole Drug Info IC50 = 236 nM [9]
1-(4-Bromobenzyl)-1H-imidazole Drug Info IC50 = 211 nM [9]
1-(4-Bromobenzyl)-5-phenyl-1H-imidazole Drug Info IC50 = 7 nM [9]
1-(4-Cyanobenzyl)-5-(2-fluorophenyl)-1H-imidazole Drug Info IC50 = 20 nM [9]
1-(4-Cyanobenzyl)-5-(2-methylphenyl)-1H-imidazole Drug Info IC50 = 5.7 nM [9]
1-(4-Cyanobenzyl)-5-(3-fluorophenyl)-1H-imidazole Drug Info IC50 = 32 nM [9]
1-(4-Cyanobenzyl)-5-(3-methylphenyl)-1H-imidazole Drug Info IC50 = 6.2 nM [9]
1-(4-Cyanobenzyl)-5-(4-fluorophenyl)-1H-imidazole Drug Info IC50 = 27 nM [9]
1-(4-Cyanobenzyl)-5-(4-pyridyl)-1H-imidazole Drug Info IC50 = 307 nM [9]
1-(4-Cyanobenzyl)-5-bromo-1H-imidazole Drug Info IC50 = 73 nM [9]
1-(4-Cyanobenzyl)-5-formyl-1H-imidazole Drug Info IC50 = 478 nM [9]
1-(4-Cyanobenzyl)-5-hydroxymethyl-1H-imidazole Drug Info IC50 = 285 nM [9]
1-(4-Cyanobenzyl)-5-methyl-1H-imidazole Drug Info IC50 = 141 nM [9]
1-(4-Cyanobenzyl)-5-phenyl-1H-imidazole Drug Info IC50 = 28 nM [9]
1-(4-fluorobenzyl)-1H-imidazole Drug Info IC50 = 494 nM [9]
1-(4-Fluorobenzyl)-5-phenyl-1H-imidazole Drug Info IC50 = 16 nM [9]
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole Drug Info IC50 = 11 nM [9]
1-(6-Methoxy-naphthalen-2-yl)-1H-imidazole Drug Info IC50 = 849 nM [3]
1-Benzyl-5-phenyl-1H-imidazole Drug Info IC50 = 4.8 nM [9]
1-Ethyl-3-imidazol-1-ylmethyl-1H-indole Drug Info IC50 = 10000 nM [12]
1-Naphthalen-2-yl-1H-imidazole Drug Info IC50 = 1317 nM [3]
2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane Drug Info IC50 = 7300 nM [14]
2-Methyl-1,2-di-pyridin-3-yl-propan-1-one oxime Drug Info IC50 = 4780 nM [14]
2-Methyl-1,2-di-pyridin-3-yl-propane Drug Info IC50 = 2640 nM [14]
2-Methyl-1,2-di-pyridin-3-yl-propylchloride Drug Info IC50 = 7250 nM [14]
2-Methyl-1,2-di-pyridin-3-yl-propyliodide Drug Info IC50 = 5360 nM [14]
2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-ol Drug Info IC50 = 1530 nM [14]
2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-one Drug Info IC50 = 3300 nM [14]
3-((1H-imidazol-1-yl)methyl)aniline Drug Info IC50 = 390 nM [9]
3-(1,2-dihydroacenaphthylen-3-yl)pyridine Drug Info IC50 = 2452 nM [4]
3-(1,2-dihydroacenaphthylen-5-yl)pyridine Drug Info IC50 = 2896 nM [4]
3-(1-Benzyl-1H-imidazol-5-yl)-1-propanol Drug Info IC50 = 181 nM [9]
3-(1-Chloro-7-methoxy-naphthalen-2-yl)-pyridine Drug Info IC50 = 2724 nM [3]
3-(1-ethyl-3,4-dihydronaphthalen-2-yl)-pyridine Drug Info IC50 = 2117 nM [5]
3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine Drug Info IC50 = 1268 nM [5]
3-(1H-inden-2-yl)pyridine Drug Info IC50 = 2391 nM [5]
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyridine Drug Info IC50 = 13378 nM [8]
3-(2-Chloro-1,1-dimethyl-2-phenyl-ethyl)-pyridine Drug Info IC50 = 1630 nM [14]
3-(3,4-dihydronaphthalen-2-yl)pyridine Drug Info IC50 = 1729 nM [5]
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine Drug Info IC50 = 640 nM [7]
3-(3-Benzylnaphthalen-2-yl)pyridine Drug Info IC50 = 953 nM [7]
3-(3-methyl-3,4-dihydronaphthalen-2-yl)pyridine Drug Info IC50 = 503 nM [5]
3-(4-ethyl-3,4-dihydronaphthalen-2-yl)pyridine Drug Info IC50 = 1615 nM [5]
3-(5-Bromo-6-methoxy-naphthalen-2-yl)-pyridine Drug Info IC50 = 4481 nM [3]
3-(5-Chloro-6-methoxy-naphthalen-2-yl)-pyridine Drug Info IC50 = 2517 nM [3]
3-(5-methoxy-1H-inden-2-yl)pyridine Drug Info IC50 = 5684 nM [5]
3-(6-Bromo-naphthalen-2-yl)-pyridine Drug Info IC50 = 2939 nM [3]
3-(6-Ethoxy-naphthalen-2-yl)-pyridine Drug Info IC50 = 5419 nM [3]
3-(6-methoxy-3,4-dihydronaphthalen-2-yl)pyridine Drug Info IC50 = 578 nM [6]
3-(6-Methoxy-3-methylnaphthalen-2-yl)pyridine Drug Info IC50 = 1047 nM [6]
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine Drug Info IC50 = 114 nM [6]
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine Drug Info IC50 = 151 nM [6]
3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine Drug Info IC50 = 1521 nM [6]
3-(6-methoxynaphthalen-2-yl)pyridine Drug Info IC50 = 1577 nM [7]
3-(naphthalen-2-yl)pyridine Drug Info IC50 = 5826 nM [7]
3-Fluoro-4'-(pyridin-4-ylmethyl)biphenyl-4-ol Drug Info IC50 = 850 nM [11]
3-Imidazol-1-yl-quinoline Drug Info IC50 = 6338 nM [3]
3-Imidazol-1-ylmethyl-1H-indole Drug Info IC50 = 10000 nM [12]
3-Imidazol-1-ylmethyl-2-isopropyl-1H-indole Drug Info IC50 = 2000 nM [12]
3-Indan-(1E)-ylidenemethyl-pyridine Drug Info IC50 = 888 nM [1]
3-Indan-(1Z)-ylidenemethyl-pyridine Drug Info IC50 = 87 nM [1]
3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine Drug Info IC50 = 238 nM [6]
3-Phenanthren-9-yl-pyridine Drug Info IC50 = 7553 nM [3]
3-[(Z)-2-phenylvinyl]pyridine Drug Info IC50 = 288 nM [5]
3-[1-(4-Bromobenzyl)-1H-imidazol-5-yl]-1-propanol Drug Info IC50 = 18 nM [9]
3-[1-(4-Cyanobenzyl)-1H-imidazol-5-yl]-1-propanol Drug Info IC50 = 48 nM [9]
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine Drug Info IC50 = 2804 nM [7]
3-[4-Chloro-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 657 nM [1]
3-[4-Fluoro-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 774 nM [1]
3-[4-Methyl-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 763 nM [1]
3-[5-Bromo-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 1937 nM [1]
3-[5-Chloro-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 1472 nM [1]
3-[5-Chloro-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 270 nM [1]
3-[5-Ethoxy-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 2368 nM [1]
3-[5-Ethoxy-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 2697 nM [1]
3-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 125 nM [1]
3-[5-Methoxy-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 1448 nM [1]
3-[5-Methoxy-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 790 nM [1]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diamine Drug Info IC50 = 902 nM [11]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol Drug Info IC50 = 1400 nM [11]
4-((1H-imidazol-1-yl)methyl)benzonitrile Drug Info IC50 = 368 nM [9]
4-((3',4'-Difluorobiphenyl-4-yl)methyl)pyridine Drug Info IC50 = 4742 nM [11]
4-(4'-Fluoro-biphenyl-4-ylmethyl)pyridine Drug Info IC50 = 928 nM [11]
4-(4-(thiophen-2-yl)benzyl)pyridine Drug Info IC50 = 415 nM [11]
4-(6-methoxy-3,4-dihydronaphthalen-2-yl)pyridine Drug Info IC50 = 2529 nM [5]
4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline Drug Info IC50 = 843 nM [6]
4-(6-Methoxynaphthalen-2-yl)isoquinoline Drug Info IC50 = 67 nM [6]
4-Indan-(1Z)-ylidenemethyl-pyridine Drug Info IC50 = 931 nM [1]
4-[(3'-Hydroxybiphenyl-4-yl)methyl]pyridine Drug Info IC50 = 342 nM [11]
4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine Drug Info IC50 = 251 nM [11]
4-[5-Bromo-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 2640 nM [1]
4-[5-Bromo-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 484 nM [1]
4-[5-Chloro-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 301 nM [1]
4-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyridine Drug Info IC50 = 1098 nM [1]
4-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine Drug Info IC50 = 34 nM [1]
5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol Drug Info IC50 = 8925 nM [6]
5-Indan-(1E)-ylidenemethyl-1H-imidazole Drug Info IC50 = 25.9 nM [2]
5-Indan-(1Z)-ylidenemethyl-1H-imidazole Drug Info IC50 = 6.1 nM [2]
5-Naphthalen-2-yl-1H-imidazole Drug Info IC50 = 207 nM [3]
5-Naphthalen-2-yl-oxazole Drug Info IC50 = 805 nM [3]
5-Pyridin-3-yl-1,3-dihydro-2H-indol-2-one Drug Info IC50 = 5952 nM [8]
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one Drug Info IC50 = 819 nM [8]
5-[4-(Pyridin-4-ylmethyl)phenyl]-1H-indole Drug Info IC50 = 469 nM [11]
5-[5-Bromo-indan-(1E)-ylidenemethyl]-1H-imidazole Drug Info IC50 = 26.2 nM [2]
5-[5-Bromo-indan-(1Z)-ylidenemethyl]-1H-imidazole Drug Info IC50 = 23.5 nM [2]
5-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyrimidine Drug Info IC50 = 27 nM [1]
6-(4-Methylpyridin-3-yl)-2-naphthonitrile Drug Info IC50 = 52 nM [6]
6-(pyridin-3-yl)-2-naphthonitrile Drug Info IC50 = 691 nM [6]
6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one Drug Info IC50 = 33 nM [8]
6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-ol Drug Info IC50 = 4921 nM [8]
6-Pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one Drug Info IC50 = 6746 nM [8]
6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one Drug Info IC50 = 3964 nM [8]
6-Pyridin-3-yl-3,4-dihydroquinoline-2(1H)-thione Drug Info IC50 = 580 nM [8]
6-Pyridin-3-yl-naphthalen-2-ol Drug Info IC50 = 2671 nM [3]
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol Drug Info IC50 = 627 nM [11]
7-Pyridin-3-yl-2H-1,4-benzothiazin-3(4H)-one Drug Info IC50 = 525 nM [8]
ABIRATERONE Drug Info IC50 = 1610 nM [10]
Methyl 3-(1-Benzyl-1H-imidazol-5-yl)-propanoate Drug Info IC50 = 326 nM [9]
N-(4'-Isonicotinoylbiphenyl-3-yl)acetamide Drug Info IC50 = 307 nM [11]
R-fadrozole Drug Info IC50 = 119 nM [9]
References
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REF 2 Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase. J Med Chem. 2005 Mar 24;48(6):1796-805.
REF 3 Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart fa... J Med Chem. 2005 Oct 20;48(21):6632-42.
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REF 6 Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization on pote... J Med Chem. 2008 Aug 28;51(16):5064-74.
REF 7 Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach. J Med Chem. 2008 Oct 9;51(19):6138-49.
REF 8 In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-... J Med Chem. 2008 Dec 25;51(24):8077-87.
REF 9 Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). J Med Chem. 2010 Feb 25;53(4):1712-25.
REF 10 Isopropylidene substitution increases activity and selectivity of biphenylmethylene 4-pyridine type CYP17 inhibitors. J Med Chem. 2010 Jul 8;53(13):5049-53.
REF 11 Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prosta... J Med Chem. 2010 Aug 12;53(15):5749-58.
REF 12 Selective thromboxane synthetase inhibitors. 2. 3-(1H-imidazol-1-ylmethyl)-2-methyl-1H-indole-1-propanoic acid and analogues. J Med Chem. 1986 Mar;29(3):342-6.
REF 13 Selective thromboxane synthetase inhibitors. 1. 1-[(Aryloxy)alkyl]-1H-imidazoles. J Med Chem. 1985 Oct;28(10):1427-32.
REF 14 Structure-activity relationship study of the inhibition of adrenal cortical 11 beta-hydroxylase by new metyrapone analogues. J Med Chem. 1984 Jan;27(1):15-9.
REF 15 Mitochondrial cytochrome p450. A component of chick kidney 25-hydrocholecalciferol-1alpha-hydroxylase. J Biol Chem. 1974 May 25;249(10):3026-33.

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