Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50192685
Substrate
n/a
Meas. Tech.
ChEMBL_422275 (CHEMBL855995)
IC50
1820±n/a nM
Citation
 Yeh, VS; Kurukulasuriya, R; Madar, D; Patel, JR; Fung, S; Monzon, K; Chiou, W; Wang, J; Jacobson, P; Sham, HL; Link, JT Synthesis and structural activity relationship of 11beta-HSD1 inhibitors with novel adamantane replacements. Bioorg Med Chem Lett 16:5408-13 (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 type 2 | Corticosteroid 11-beta-dehydrogenase isozyme 2 | DHI2_MOUSE | Hsd11b2 | Hsd11k | NAD-dependent 11-beta-hydroxysteroid dehydrogenase
Type:
Enzyme
Mol. Mass.:
42201.46
Organism:
Mus musculus (mouse)
Description:
Purified recombinant mouse 11beta-HSD2.
Residue:
386
Sequence:
MERWPWPSGGAWLLVAARALLQLLRSDLRLGRPLLAALALLAALDWLCQRLLPPPAALVVLAGAGWIALSRLARPPRLPVATRAVLITGCDTGFGKETAKKLDAMGFTVLATVLDLNSPGALELRDLCSPRLKLLQMDLTKAEDISRVLEITKAHTASTGLWGLVNNAGLNIVVADVELSPVATFRKCMEVNFFGALELTKGLLPLLRHSRGRIVTVGSPAGDMPYPCLAAYGTSKAAIALLMDTFGCELLPWGIKVSIIKPGCFKTDAVTNVNLWEKRKQLLLANIPRELLQAYGEDYIEHVHGQFLNSLRMALPDLSPVVDAIIDALLAAQPRSRYYPGRGLGLMYFIHHYLPEGLRRCFLQNFFINHLLPRALRPGQHGPAPA
  
Inhibitor
Name:
BDBM50192685
Synonyms:
(3s,9s)-9-(2-(4-chlorophenoxy)-2-methylpropanamido)bicyclo[3.3.1]nonane-3-carboxylic acid | CHEMBL386315
Type:
Small organic molecule
Emp. Form.:
C20H26ClNO4
Mol. Mass.:
379.878
SMILES:
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C2CCCC1C[C@H](C2)C(O)=O |wD:14.14,21.25,TLB:13:14:22.21.20:16.18.17,THB:23:21:16.18.17:14,(.09,-10.48,;1.44,-9.72,;2.77,-10.5,;2.77,-8.95,;2.77,-7.42,;4.1,-6.65,;4.11,-5.11,;2.77,-4.34,;2.77,-2.8,;1.44,-5.12,;1.44,-6.65,;.11,-8.95,;.11,-7.41,;-.79,-9.46,;-2.25,-8.62,;-2.83,-10.19,;-2.83,-12.52,;-4.87,-12.46,;-3.87,-11.76,;-3.87,-9.08,;-5.21,-9.09,;-5.73,-8.15,;-5.76,-10.11,;-7.23,-8.55,;-8.31,-7.46,;-7.63,-10.03,)|
Structure:
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