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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM99408'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM99408
PNG
(US8497281, 186)
Show SMILES Oc1ccc2[C@H]3CCCN([C@H]3Cc2c1)C(=O)c1ccc2nc[nH]c2c1 |r|
Show InChI InChI=1S/C20H19N3O2/c24-14-4-5-15-13(8-14)10-19-16(15)2-1-7-23(19)20(25)12-3-6-17-18(9-12)22-11-21-17/h3-6,8-9,11,16,19,24H,1-2,7,10H2,(H,21,22)/t16-,19+/m1/s1
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Similars

US Patent
n/an/a 365n/an/an/an/a6.037



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
In vitro inhibition of 11beta-HSD1 by test compounds is determined with HTRF (Homogeneous Time-Resolved Fluoresence) technology (cisbio international...


US Patent US8497281 (2013)


BindingDB Entry DOI: 10.7270/Q2G44NXT
More data for this
Ligand-Target Pair