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Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50306426
Substrate
n/a
Meas. Tech.
ChEMBL_609883 (CHEMBL1073439)
IC50
>10000±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:
BDBM50306426
Synonyms:
2-{1'-[(adamantan-2-yl)carbamoyl]-5-chloro-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid | CHEMBL605954
Type:
Small organic molecule
Emp. Form.:
C26H33ClN2O3
Mol. Mass.:
457.005
SMILES:
OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2ccc(Cl)cc12 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(4.21,-22.31,;3.43,-20.98,;4.21,-19.64,;1.89,-20.97,;1.12,-22.31,;-.42,-22.34,;-.87,-23.81,;-.93,-25.36,;-2.28,-26.09,;-3.59,-25.27,;-3.56,-23.73,;-2.2,-23,;-4.95,-26.01,;-4.99,-27.55,;-6.27,-25.2,;-7.62,-25.94,;-7.63,-27.47,;-9.03,-27.82,;-10.36,-27.33,;-11.56,-28.61,;-10.06,-28.19,;-8.65,-28.75,;-10.07,-26.59,;-9.02,-25.36,;-10.37,-25.84,;.39,-24.69,;.58,-26.21,;1.99,-26.81,;3.21,-25.88,;4.64,-26.48,;3.02,-24.36,;1.62,-23.77,)|
Structure:
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