Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50197413
Substrate
n/a
Meas. Tech.
ChEMBL_453206 (CHEMBL902360)
IC50
17000±n/a nM
Citation
 Sorensen, B; Winn, M; Rohde, J; Shuai, Q; Wang, J; Fung, S; Monzon, K; Chiou, W; Stolarik, D; Imade, H; Pan, L; Deng, X; Chovan, L; Longenecker, K; Judge, R; Qin, W; Brune, M; Camp, H; Frevert, EU; Jacobson, P; Link, JT Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg Med Chem Lett 17:527-32 (2007) [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:
BDBM50197413
Synonyms:
2-(3-chloro-phenoxy)-N-(5-methanesulfonyl-adamantan-2-yl)-2-methyl-propionamide | CHEMBL241714
Type:
Small organic molecule
Emp. Form.:
C21H28ClNO4S
Mol. Mass.:
425.969
SMILES:
CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O |w:17.17,15.26,19.19,wU:14.14,wD:21.27,TLB:14:15:22:18.19.20,13:14:22.17.18:20,THB:16:15:22.17.18:20,14:19:22:23.16.15,TEB:16:17:20:23.15.14,18:19:23:22.17.16,(22.08,-16.67,;22.9,-17.98,;23.71,-19.29,;24.23,-17.2,;25.57,-17.96,;25.58,-19.5,;26.92,-20.26,;28.24,-19.48,;28.23,-17.93,;29.55,-17.15,;26.89,-17.18,;21.62,-18.83,;21.71,-20.37,;20.24,-18.14,;18.95,-19,;18.94,-20.53,;17.93,-21.81,;16.52,-21.24,;16.52,-19.64,;17.55,-18.41,;16.21,-18.9,;16.22,-20.38,;15.02,-21.66,;17.54,-20.87,;14.72,-19.97,;13.23,-19.56,;15.13,-18.49,;14.31,-21.45,)|
Structure:
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