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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 = 'BDBM186151'   
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))
BDBM186151
PNG
(US9163012, 68)
Show SMILES NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)n1c4c(Cl)cccc4[nH]c1=O)C(C3)C2
Show InChI InChI=1S/C23H27ClN4O4/c24-16-2-1-3-17-18(16)28(21(30)26-17)15-4-5-27(11-15)22(31)32-19-13-6-12-7-14(19)10-23(8-12,9-13)20(25)29/h1-3,12-15,19H,4-11H2,(H2,25,29)(H,26,30)/t12?,13?,14?,15-,19-,23-/m1/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 0.460n/an/an/an/an/a25



Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of microsomal preparations of 11.beta.-HSDl by compounds of the present invention, as described essentially previously (K. Solly, SS Mundt...


US Patent US9163012 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W45
More data for this
Ligand-Target Pair