Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Broad substrate specificity ATP-binding cassette transporter ABCG2' and Ligand = 'BDBM50500541'   

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
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50500541 (CHEMBL3747380) Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC(C)(C)C)NC2=O |r| Show InChI InChI=1S/C25H34N4O3/c1-14(2)12-19-22-16(15-8-6-7-9-17(15)26-22)13-20-23(31)27-18(24(32)29(19)20)10-11-21(30)28-25(3,4)5/h6-9,14,18-20,26H,10-13H2,1-5H3,(H,27,31)(H,28,30)/t18-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. Curated by ChEMBL					Assay Description Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate assessed as Ko143 IC50 measured at 30 to 120 mins by microplate scinti...				Bioorg Med Chem Lett 26: 551-555 (2016) Article DOI: 10.1016/j.bmcl.2015.11.077 BindingDB Entry DOI: 10.7270/Q2HX1GPQ
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50500541 (CHEMBL3747380) Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)NC(C)(C)C)NC2=O |r| Show InChI InChI=1S/C25H34N4O3/c1-14(2)12-19-22-16(15-8-6-7-9-17(15)26-22)13-20-23(31)27-18(24(32)29(19)20)10-11-21(30)28-25(3,4)5/h6-9,14,18-20,26H,10-13H2,1-5H3,(H,27,31)(H,28,30)/t18-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. Curated by ChEMBL					Assay Description Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate measured at 30 to 120 mins by microplate scintillation and luminescenc...				Bioorg Med Chem Lett 26: 551-555 (2016) Article DOI: 10.1016/j.bmcl.2015.11.077 BindingDB Entry DOI: 10.7270/Q2HX1GPQ
					More data for this Ligand-Target Pair