Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family C member 2' and Ligand = 'BDBM50485570'   

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
ATP-binding cassette sub-family C member 2 (Rattus norvegicus)	BDBM50485570 (CHEMBL273608) Show SMILES Nc1nc(N)c2nc(CN3CCSc4cc(ccc34)C(=O)NC(CCCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C22H24N8O5S/c23-18-17-19(29-22(24)28-18)25-9-12(26-17)10-30-6-7-36-15-8-11(4-5-14(15)30)20(33)27-13(21(34)35)2-1-3-16(31)32/h4-5,8-9,13H,1-3,6-7,10H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat				Pharm Res 18: 579-86 (2001) Article DOI: 10.1023/a:1011064806507 BindingDB Entry DOI: 10.7270/Q2K93BC6
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Rattus norvegicus)	BDBM50485570 (CHEMBL273608) Show SMILES Nc1nc(N)c2nc(CN3CCSc4cc(ccc34)C(=O)NC(CCCC(O)=O)C(O)=O)cnc2n1 Show InChI InChI=1S/C22H24N8O5S/c23-18-17-19(29-22(24)28-18)25-9-12(26-17)10-30-6-7-36-15-8-11(4-5-14(15)30)20(33)27-13(21(34)35)2-1-3-16(31)32/h4-5,8-9,13H,1-3,6-7,10H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat				Drug Metab Dispos 29: 394-400 (2001) BindingDB Entry DOI: 10.7270/Q2Q2433X
					More data for this Ligand-Target Pair