Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/bile acid cotransporter' and Ligand = 'BDBM400119'   

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
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400119 (N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-((1-(1-m...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2cn(C)nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C23H22ClFN6O3/c1-12-18(20(32)22(34)27-23(7-8-23)17-11-30(2)29-28-17)16-4-3-9-31(16)19(12)21(33)26-13-5-6-15(25)14(24)10-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,33)(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	30.6	n/a	n/a	n/a	n/a
Celgene Quantical Research, Inc. US Patent									US Patent US9714230 (2017) BindingDB Entry DOI: 10.7270/Q2BR8X9J
					More data for this Ligand-Target Pair
Sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM400119 (N-(3-chloro-4-fluorophenyl)-6-methyl-7-(2-((1-(1-m...) Show SMILES Cc1c(C(=O)C(=O)NC2(CC2)c2cn(C)nn2)c2CCCn2c1C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C23H22ClFN6O3/c1-12-18(20(32)22(34)27-23(7-8-23)17-11-30(2)29-28-17)16-4-3-9-31(16)19(12)21(33)26-13-5-6-15(25)14(24)10-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,33)(H,27,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	30.6	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...				Bioorg Med Chem 17: 7174-85 (2009) BindingDB Entry DOI: 10.7270/Q28G8P1P
					More data for this Ligand-Target Pair