Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50609041'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM50609041 (CHEMBL5268282) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2c1noc(n1)-c1cccc(c1)C(O)=O |r,wD:7.9,4.4,1.0,(.35,1.36,;.35,-.18,;-.32,-1.31,;.35,-2.49,;1.68,-2.49,;1.68,-4.03,;.35,-3.26,;-.99,-2.49,;-.99,-.95,;-2.32,-3.26,;-3.66,-2.49,;-4.99,-3.26,;-6.38,-2.64,;-7.4,-3.77,;-6.63,-5.11,;-5.14,-4.8,;-4.02,-5.82,;-4.32,-7.31,;-5.76,-7.77,;-3.19,-8.34,;-1.71,-7.88,;-1.4,-6.39,;-2.53,-5.36,;-2.13,-3.87,;-6.68,-1.1,;-6.22,.33,;-7.76,.03,;1.68,-.95,;3.01,-.18,;4.42,-.81,;5.45,.34,;4.68,1.67,;3.18,1.35,;5.45,3.01,;7,3.01,;7.76,4.34,;6.99,5.67,;5.45,5.67,;4.68,4.34,;4.68,7,;5.45,8.34,;3.14,7,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	<50	n/a	n/a	n/a	n/a
TBA									Citation and Details
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