Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50609030'   

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))	BDBM50609030 (CHEMBL5281263) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1)N2C(=O)N1Cc2ccc(cc2C1)C(O)=O |r,wD:7.9,4.4,1.0,(-1.47,4.85,;-1.47,3.31,;-2.14,2.18,;-1.47,1,;-.14,1,;-.14,-.54,;-1.47,.23,;-2.81,1,;-2.81,2.54,;-4.14,.23,;-5.48,1,;-6.81,.23,;-8.2,.85,;-9.22,-.28,;-8.45,-1.62,;-6.96,-1.31,;-5.84,-2.34,;-6.14,-3.82,;-7.58,-4.28,;-5.01,-4.85,;-3.53,-4.39,;-3.22,-2.9,;-4.35,-1.87,;-3.95,-.39,;-8.5,2.39,;-8.04,3.82,;-9.58,3.51,;-.14,2.54,;1.19,3.31,;1.19,4.85,;2.53,2.54,;2.69,1.01,;4.19,.69,;4.97,-.65,;6.51,-.65,;7.27,.69,;6.5,2.02,;4.96,2.02,;3.93,3.16,;8.81,.69,;9.58,-.65,;9.58,2.02,)| 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	10	n/a	n/a	n/a	n/a
TBA									Citation and Details
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