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Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50243671
Substrate
n/a
Meas. Tech.
ChEMBL_487348 (CHEMBL1021874)
IC50
>10000±n/a nM
Citation
 Julian, LD; Wang, Z; Bostick, T; Caille, S; Choi, R; DeGraffenreid, M; Di, Y; He, X; Hungate, RW; Jaen, JC; Liu, J; Monshouwer, M; McMinn, D; Rew, Y; Sudom, A; Sun, D; Tu, H; Ursu, S; Walker, N; Yan, X; Ye, Q; Powers, JP Discovery of novel, potent benzamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) exhibiting oral activity in an enzyme inhibition ex vivo model. J Med Chem 51:3953-60 (2008) [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:
BDBM50243671
Synonyms:
(S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide | CHEMBL471930
Type:
Small organic molecule
Emp. Form.:
C19H23F4NO2
Mol. Mass.:
373.385
SMILES:
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](F)CC1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.20,(9.71,-.15,;10.47,1.19,;9.13,1.96,;11.8,.42,;11.8,-1.12,;13.14,-1.9,;14.47,-1.12,;14.47,.43,;13.13,1.19,;15.81,-1.89,;15.81,-3.43,;17.14,-1.12,;17.14,.42,;17.9,1.76,;16.36,1.75,;18.48,-1.89,;19.8,-1.12,;21.14,-1.89,;21.13,-3.43,;22.46,-4.2,;19.8,-4.2,;18.47,-3.43,;11.24,2.52,;12,3.87,;12.58,1.76,;9.9,3.29,)|
Structure:
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