Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50195287
Substrate
n/a
Meas. Tech.
ChEMBL_424849 (CHEMBL907399)
IC50
90000±n/a nM
Citation
 Sorensen, B; Rohde, J; Wang, J; Fung, S; Monzon, K; Chiou, W; Pan, L; Deng, X; Stolarik, D; Frevert, EU; Jacobson, P; Link, JT Adamantane 11-beta-HSD-1 inhibitors: Application of an isocyanide multicomponent reaction. Bioorg Med Chem Lett 16:5958-62 (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:
BDBM50195287
Synonyms:
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopropanecarbonyl}-amino)-adamantane-1-carboxylic acid amide | CHEMBL376293
Type:
Small organic molecule
Emp. Form.:
C25H32F3N5O2
Mol. Mass.:
491.5491
SMILES:
NC(=O)[C@@]12C[C@H]3CC(C1)[C@@H](NC(=O)C1(CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:5.4,3.2,9.10,TLB:8:3:33:7.6.9,10:9:4.3.8:6,THB:1:3:33:7.6.9,1:3:6:33.32.9,34:3:6:33.32.9,34:32:4.3.8:6,(-4.78,-1.76,;-6.11,-.98,;-7.45,-1.74,;-6.1,.55,;-7.6,.13,;-6.41,1.41,;-6.41,2.89,;-5.07,3.37,;-6.11,2.14,;-3.67,2.79,;-2.39,3.64,;-1.01,2.96,;-.92,1.42,;.27,3.81,;-.13,5.3,;1.36,4.91,;1.09,2.5,;.35,1.14,;1.16,-.16,;2.7,-.12,;3.43,1.24,;2.61,2.55,;3.5,-1.42,;2.77,-2.77,;3.57,-4.08,;5.11,-4.04,;5.84,-2.69,;5.04,-1.37,;5.91,-5.36,;6.67,-6.68,;7.24,-4.57,;4.57,-6.11,;-3.68,1.26,;-5.08,.92,;-4.7,-.01,)|
Structure:
Search PDB for entries with ligand similarity: