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Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50192796
Substrate
n/a
Meas. Tech.
ChEMBL_422285 (CHEMBL906985)
IC50
>100000±n/a nM
Citation
 Yeh, VS; Patel, JR; Yong, H; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Beno, D; Brune, M; Jacobson, P; Sham, H; Link, JT Synthesis and biological evaluation of heterocycle containing adamantane 11beta-HSD1 inhibitors. Bioorg Med Chem Lett 16:5414-9 (2006) [PubMed]  Article 
Target
Name:
11-beta-hydroxysteroid dehydrogenase type 2
Synonyms:
11-DH2 | 11-beta-HSD2 | 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 2 | 11-beta-hydroxysteroid dehydrogenase type 2 | 11-beta-hydroxysteroid dehydrogenase type 2 (11-beta-HSD2) | Corticosteroid 11-beta-dehydrogenase isozyme 2 | DHI2_HUMAN | HSD11B2 | HSD11K | NAD-dependent 11-beta-hydroxysteroid dehydrogenase | SDR9C3
Type:
Enzyme
Mol. Mass.:
44141.72
Organism:
Homo sapiens (Human)
Description:
Purified recombinant human 11beta-HSD2.
Residue:
405
Sequence:
MERWPWPSGGAWLLVAARALLQLLRSDLRLGRPLLAALALLAALDWLCQRLLPPPAALAVLAAAGWIALSRLARPQRLPVATRAVLITGCDSGFGKETAKKLDSMGFTVLATVLELNSPGAIELRTCCSPRLRLLQMDLTKPGDISRVLEFTKAHTTSTGLWGLVNNAGHNEVVADAELSPVATFRSCMEVNFFGALELTKGLLPLLRSSRGRIVTVGSPAGDMPYPCLGAYGTSKAAVALLMDTFSCELLPWGVKVSIIQPGCFKTESVRNVGQWEKRKQLLLANLPQELLQAYGKDYIEHLHGQFLHSLRLAMSDLTPVVDAITDALLAARPRRRYYPGQGLGLMYFIHYYLPEGLRRRFLQAFFISHCLPRALQPGQPGTTPPQDAAQDPNLSPGPSPAVAR
  
Inhibitor
Name:
BDBM50192796
Synonyms:
CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano-oxazol-2-yl)-adamantan-2-yl]-2-(4-chloro-phenoxy)-2-methyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C24H27ClN4O3
Mol. Mass.:
454.949
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)|
Structure:
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