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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 = 'BDBM225947'   
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))
BDBM225947
PNG
(FXR_37)
Show SMILES CNC(=O)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C24H29N3O3/c1-25-24(28)22(16-9-5-4-6-10-16)27-20-12-8-7-11-19(20)26-23(27)18-14-13-17(29-2)15-21(18)30-3/h7-8,11-16,22H,4-6,9-10H2,1-3H3,(H,25,28)/t22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
D3R
n/an/a>2.50E+4n/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