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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225970'   
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
Bile acid receptor


(Homo sapiens (Human))
BDBM225970
PNG
(FXR_62)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)nc2)c(Cl)c1
Show InChI InChI=1S/C27H22Cl2F2N4O3/c28-17-10-15(27(37)38)6-8-20(17)34-26(36)24(14-4-2-1-3-5-14)35-22-12-19(31)18(30)11-21(22)33-25(35)16-7-9-23(29)32-13-16/h6-14,24H,1-5H2,(H,34,36)(H,37,38)/t24-/m0/s1
PDB
MMDB

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PC cid
PC sid
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D3R
n/an/a 335n/an/an/an/a7.4n/a



D3R



Assay Description
The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...


D3R 882: (2017)

More data for this
Ligand-Target Pair