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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 = 'BDBM108088'   
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))
BDBM108088
PNG
(US8598163, 56)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn2nc(C)nc2c1 |r|
Show InChI InChI=1S/C29H32N4O3/c1-20(22-10-12-23(13-11-22)24-14-16-33-26(18-24)30-21(2)31-33)32-17-15-29(36-27(32)34,19-28(3,4)35)25-8-6-5-7-9-25/h5-14,16,18,20,35H,15,17,19H2,1-4H3/t20-,29-/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 31n/an/an/an/a6.037



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 in the presence of 50% human plasma by compounds of the invention was measured.


US Patent US8598163 (2013)


BindingDB Entry DOI: 10.7270/Q29K48WR
More data for this
Ligand-Target Pair