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Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50192787
Substrate
n/a
Meas. Tech.
ChEMBL_422285 (CHEMBL906985)
IC50
55000±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:
BDBM50192787
Synonyms:
CHEMBL219136 | N-[(1R,2S,5S,7S)-5-(5-amino-4H-[1,2,4]triazol-3-yl)-adamantan-2-yl]-2-(4-chloro-phenoxy)-2-methyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C22H28ClN5O2
Mol. Mass.:
429.943
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nnc(N)[nH]1 |wU:17.24,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:16:17:20:23.15.14,16:15:22.17.18:20,(24.4,3.24,;23.08,2.46,;21.75,3.24,;24.41,1.68,;25.71,2.49,;27.07,1.76,;28.37,2.57,;28.32,4.11,;29.63,4.93,;26.96,4.84,;25.65,4.02,;21.73,1.71,;21.71,.17,;20.4,2.49,;19.12,1.64,;19.11,.11,;18.09,-1.16,;16.69,-.6,;16.68,.99,;17.72,2.22,;16.37,1.74,;16.38,.26,;15.18,-1.02,;17.71,-.23,;15.04,1.04,;14.88,2.57,;13.36,2.9,;12.59,1.55,;11.06,1.39,;13.63,.4,)|
Structure:
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