Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50195300
Substrate
n/a
Meas. Tech.
ChEMBL_424849 (CHEMBL907399)
IC50
1700±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:
BDBM50195300
Synonyms:
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclobutanecarbonyl}-amino)-adamantane-1-carboxylic acid | CHEMBL223138
Type:
Small organic molecule
Emp. Form.:
C26H33F3N4O3
Mol. Mass.:
506.5604
SMILES:
OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCC1)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,(11.08,-20.04,;11.85,-18.71,;11.09,-17.37,;13.39,-18.71,;12.2,-19.99,;13.7,-19.57,;15.1,-20.13,;16.11,-18.86,;14.72,-19.2,;16.13,-17.33,;17.41,-16.48,;18.79,-17.17,;18.88,-18.7,;20.07,-16.31,;21.16,-15.21,;20.06,-14.13,;18.97,-15.22,;21.45,-17,;21.54,-18.53,;22.91,-19.21,;24.19,-18.36,;24.1,-16.83,;22.72,-16.14,;25.57,-19.05,;25.66,-20.59,;27.03,-21.28,;28.32,-20.43,;28.22,-18.88,;26.84,-18.2,;29.69,-21.12,;31.02,-21.88,;28.91,-22.44,;30.45,-19.77,;14.73,-16.75,;13.69,-17.98,;13.38,-17.23,)|
Structure:
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