Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50195294
Substrate
n/a
Meas. Tech.
ChEMBL_424849 (CHEMBL907399)
IC50
3200±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:
BDBM50195294
Synonyms:
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopropanecarbonyl}-amino)-adamantane-1-carboxylic acid | CHEMBL220883
Type:
Small organic molecule
Emp. Form.:
C25H31F3N4O3
Mol. Mass.:
492.5338
SMILES:
OC(=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:9.10,wD:3.2,5.4,TLB:6:5:34:8.7.9,6:7:4.5.33:34,THB:10:9:4.5.33:34,(-7.99,-22.89,;-7.21,-21.56,;-7.98,-20.22,;-5.67,-21.56,;-6.87,-22.84,;-5.37,-22.42,;-3.96,-22.98,;-2.95,-21.71,;-4.35,-22.05,;-2.94,-20.18,;-1.66,-19.33,;-.28,-20.02,;-.18,-21.55,;1,-19.16,;.6,-17.67,;2.09,-18.07,;1.82,-20.47,;1.08,-21.83,;1.89,-23.13,;3.43,-23.09,;4.16,-21.73,;3.34,-20.42,;4.23,-24.39,;3.5,-25.75,;4.3,-27.05,;5.84,-27.01,;6.57,-25.66,;5.77,-24.34,;6.64,-28.33,;7.4,-29.65,;7.97,-27.54,;5.3,-29.08,;-4.34,-19.6,;-5.37,-20.83,;-5.68,-20.08,)|
Structure:
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