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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 = 'BDBM107603'   
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))
BDBM107603
PNG
(US8575157, 52)
Show SMILES CC[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC)c1 |r|
Show InChI InChI=1S/C30H36N2O4/c1-5-26(23-14-12-22(13-15-23)24-16-17-27(33)31(6-2)20-24)32-19-18-30(36-28(32)34,21-29(3,4)35)25-10-8-7-9-11-25/h7-17,20,26,35H,5-6,18-19,21H2,1-4H3/t26-,30-/m0/s1
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MMDB

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Similars

US Patent
n/an/a 14.1n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH

US Patent


Assay Description
Inhibition assay using 11β-HSD1 in the presence of 50% human plasma.


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair