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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 = 'BDBM226004'   
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))
BDBM226004
PNG
(FXR_97)
Show SMILES CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccn1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C20H22N4O3S2/c1-14(2)22-20(25)24-17(16-6-3-4-9-21-16)12-15-8-10-23(13-18(15)24)29(26,27)19-7-5-11-28-19/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
n/an/a 2.01E+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