Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase type 2
Ligand
BDBM50195295
Substrate
n/a
Meas. Tech.
ChEMBL_424849 (CHEMBL907399)
IC50
1100±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:
BDBM50195295
Synonyms:
4-({1-[4-(5-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-cyclopentanecarbonyl}-amino)-adamantane-1-carboxylic acid | CHEMBL222365
Type:
Small organic molecule
Emp. Form.:
C27H35F3N4O3
Mol. Mass.:
520.587
SMILES:
OC(=O)[C@@]12CC3CC(C1)[C@H](NC(=O)C1(CCCC1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(C3)C2 |wU:9.10,wD:3.2,TLB:6:5:36:8.7.9,6:7:4.5.35:36,THB:9:7:4:35.34.36,9:34:4:8.6.7,10:9:4.5.35:36,(-10.51,-26.96,;-9.74,-25.63,;-10.5,-24.3,;-8.2,-25.64,;-9.39,-26.91,;-7.89,-26.49,;-6.49,-27.06,;-5.48,-25.78,;-6.87,-26.13,;-5.47,-24.26,;-4.18,-23.41,;-2.81,-24.09,;-2.71,-25.63,;-1.53,-23.23,;-.44,-22.14,;-1.14,-20.76,;-2.67,-21.01,;-2.9,-22.54,;-.14,-23.92,;-.05,-25.45,;1.32,-26.14,;2.6,-25.29,;2.51,-23.75,;1.13,-23.06,;3.98,-25.98,;4.07,-27.51,;5.44,-28.2,;6.73,-27.35,;6.63,-25.81,;5.25,-25.13,;8.1,-28.04,;9.43,-28.8,;7.32,-29.36,;8.86,-26.7,;-6.86,-23.68,;-7.9,-24.9,;-8.21,-24.16,)|
Structure:
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