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Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50306423
Substrate
n/a
Meas. Tech.
ChEMBL_609883 (CHEMBL1073439)
IC50
10±n/a nM
Citation
 Tice, CM; Zhao, W; Xu, Z; Cacatian, ST; Simpson, RD; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, P; Guo, J; Krosky, PM; Kruk, BA; Berbaum, J; Harrison, RK; Johnson, JJ; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Zhuang, L; McGeehan, GM; He, W; Claremon, DA Spirocyclic ureas: orally bioavailable 11beta-HSD1 inhibitors identified by computer-aided drug design. Bioorg Med Chem Lett 20:881-6 (2010) [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:
BDBM50306423
Synonyms:
2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid | CHEMBL597481
Type:
Small organic molecule
Emp. Form.:
C27H36N2O3
Mol. Mass.:
436.5863
SMILES:
Cc1ccc2c(c1)C(CC(O)=O)CC21CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:28:27:31:24.23.22,28:23:26.27.29:31,THB:22:23:26:29.30.31,22:30:26:24.28.23,21:22:26.27.29:31,(4.76,-16.1,;3.34,-15.51,;2.12,-16.43,;.71,-15.83,;.52,-14.32,;1.75,-13.4,;3.15,-13.99,;1.25,-11.94,;2.02,-10.61,;3.56,-10.61,;4.34,-11.94,;4.34,-9.27,;-.29,-11.97,;-.74,-13.44,;-.8,-14.98,;-2.15,-15.71,;-3.46,-14.9,;-3.43,-13.36,;-2.06,-12.63,;-4.81,-15.64,;-4.85,-17.18,;-6.13,-14.83,;-7.48,-15.56,;-7.49,-17.1,;-8.89,-17.44,;-10.22,-16.95,;-11.42,-18.23,;-9.92,-17.81,;-8.51,-18.38,;-9.92,-16.21,;-8.88,-14.98,;-10.23,-15.46,)|
Structure:
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