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Target11-beta-hydroxysteroid dehydrogenase 2
LigandBDBM50306423
Substrate/Competitorn/a
Meas. Tech.ChEMBL_609883
IC50 10±n/a nM
Citation Tice, CMZhao, WXu, ZCacatian, STSimpson, RDYe, YJSingh, SBMcKeever, BMLindblom, PGuo, JKrosky, PMKruk, BABerbaum, JHarrison, RKJohnson, JJBukhtiyarov, YPanemangalore, RScott, BBZhao, YBruno, JGZhuang, LMcGeehan, GMHe, WClaremon, DA Spirocyclic ureas: orally bioavailable 11beta-HSD1 inhibitors identified by computer-aided drug design. Bioorg Med Chem Lett20:881-6 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
11-beta-hydroxysteroid dehydrogenase 2
Name:11-beta-hydroxysteroid dehydrogenase 2
Synonyms:11-DH2 | 11-beta-HSD2 | 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) | 11-beta-hydroxysteroid dehydrogenase type 2 | 11-beta-hydroxysteroid dehydrogenase type 2 (11-beta-HSD2) | Corticosteroid 11-beta-dehydrogenase isozyme 2 | NAD-dependent 11-beta-hydroxysteroid dehydrogenase
Type:Enzyme
Mol. Mass.:44141.72
Organism:Homo sapiens (Human)
Description:Purified recombinant human 11beta-HSD2.
Residue:405
Sequence:
MERWPWPSGGAWLLVAARALLQLLRSDLRLGRPLLAALALLAALDWLCQRLLPPPAALAV
LAAAGWIALSRLARPQRLPVATRAVLITGCDSGFGKETAKKLDSMGFTVLATVLELNSPG
AIELRTCCSPRLRLLQMDLTKPGDISRVLEFTKAHTTSTGLWGLVNNAGHNEVVADAELS
PVATFRSCMEVNFFGALELTKGLLPLLRSSRGRIVTVGSPAGDMPYPCLGAYGTSKAAVA
LLMDTFSCELLPWGVKVSIIQPGCFKTESVRNVGQWEKRKQLLLANLPQELLQAYGKDYI
EHLHGQFLHSLRLAMSDLTPVVDAITDALLAARPRRRYYPGQGLGLMYFIHYYLPEGLRR
RFLQAFFISHCLPRALQPGQPGTTPPQDAAQDPNLSPGPSPAVAR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50306423
NameBDBM50306423
Synonyms:2-{1'-[(adamantan-2-yl)carbamoyl]-5-methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl}acetic acid | CHEMBL597481
TypeSmall organic molecule
Emp. Form.C27H36N2O3
Mol. Mass.436.5863
SMILESCc1ccc2c(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
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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