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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 = 'BDBM225980'   
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))
BDBM225980
PNG
(FXR_73)
Show SMILES Oc1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
Show InChI InChI=1S/C23H21BrN2O4S2/c24-17-5-8-20-19(14-17)23(22(28)26(20)15-16-3-6-18(27)7-4-16)9-11-25(12-10-23)32(29,30)21-2-1-13-31-21/h1-8,13-14,27H,9-12,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 1.12E+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