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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 = 'BDBM225961'   
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))
BDBM225961
PNG
(FXR_51)
Show SMILES Cc1ccc(OCc2nc3ccc(F)cc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(C)c1
Show InChI InChI=1S/C30H38FN3O2/c1-20-13-16-27(21(2)17-20)36-19-28-33-25-15-14-23(31)18-26(25)34(28)29(22-9-5-3-6-10-22)30(35)32-24-11-7-4-8-12-24/h13-18,22,24,29H,3-12,19H2,1-2H3,(H,32,35)/t29-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
D3R
n/an/a 250n/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