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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 = 'BDBM186136'   
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))
BDBM186136
PNG
(US9163012, 53)
Show SMILES Cn1ccc(cc1=O)-c1csc(n1)[C@H]1CCCN1C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C24H29N3O3S/c1-26-6-4-16(12-21(26)28)19-13-31-23(25-19)20-3-2-5-27(20)24(29)30-22-17-8-14-7-15(10-17)11-18(22)9-14/h4,6,12-15,17-18,20,22H,2-3,5,7-11H2,1H3/t14?,15?,17?,18?,20-,22?/m1/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 0.470n/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