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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 = 'BDBM99300'   
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))
BDBM99300
PNG
(US8497281, 78)
Show SMILES C[C@]12CCCN([C@@H]1CCc1ccccc21)C(=O)c1ccc2nc[nH]c2c1 |r|
Show InChI InChI=1S/C22H23N3O/c1-22-11-4-12-25(20(22)10-8-15-5-2-3-6-17(15)22)21(26)16-7-9-18-19(13-16)24-14-23-18/h2-3,5-7,9,13-14,20H,4,8,10-12H2,1H3,(H,23,24)/t20-,22-/m1/s1
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Similars

US Patent
n/an/a 94n/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