Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50195288
Substrate
n/a
Meas. Tech.
ChEMBL_424849 (CHEMBL907399)
IC50
2700±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:
BDBM50195288
Synonyms:
4-{2-cyclopropyl-2-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-acetylamino}-adamantane-1-carboxylic acid | CHEMBL219712
Type:
Small organic molecule
Emp. Form.:
C26H33F3N4O3
Mol. Mass.:
506.5604
SMILES:
OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C(C1CC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:35:8.7.9,6:7:4.5.34:35,THB:9:7:4:34.33.35,9:33:4:8.6.7,10:9:4.5.34:35,(-9.11,-13.49,;-8.34,-12.16,;-9.1,-10.83,;-6.8,-12.17,;-7.99,-13.45,;-6.49,-13.03,;-5.09,-13.59,;-4.07,-12.32,;-5.47,-12.66,;-4.06,-10.79,;-2.78,-9.94,;-1.4,-10.62,;-1.3,-12.16,;-.12,-9.77,;-.21,-8.23,;.46,-6.85,;-1.07,-6.95,;1.26,-10.45,;1.35,-11.98,;2.73,-12.67,;4.01,-11.82,;3.92,-10.28,;2.54,-9.59,;5.39,-12.51,;5.48,-14.05,;6.85,-14.74,;8.14,-13.89,;8.04,-12.34,;6.67,-11.66,;9.52,-14.57,;10.84,-15.34,;8.73,-15.9,;10.27,-13.23,;-5.46,-10.21,;-6.5,-11.44,;-6.8,-10.69,)|
Structure:
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