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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 = 'BDBM225999'   
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))
BDBM225999
PNG
(FXR_92)
Show SMILES O=C(NC1CCCC1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C23H25N3O3S2/c27-23(24-19-9-4-5-10-19)26-20(17-7-2-1-3-8-17)15-18-12-13-25(16-21(18)26)31(28,29)22-11-6-14-30-22/h1-3,6-8,11,14-15,19H,4-5,9-10,12-13,16H2,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 505n/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