BDBM50293018 CHEMBL500094::N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl)aminocarbonyl)-2-methylphenyl)quinoline-3-carboxamide

SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(NC(=O)c5cnc6ccccc6c5)c4)cc3)Cc2cc1OC

InChI Key: InChIKey=NCKBFOUPAZMEMD-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50293018   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50293018 (CHEMBL500094 | N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(NC(=O)c5cnc6ccccc6c5)c4)cc3)Cc2cc1OC Show InChI InChI=1S/C37H36N4O4/c1-24-8-11-28(19-33(24)40-37(43)29-18-27-6-4-5-7-32(27)38-22-29)36(42)39-31-12-9-25(10-13-31)14-16-41-17-15-26-20-34(44-2)35(45-3)21-30(26)23-41/h4-13,18-22H,14-17,23H2,1-3H3,(H,39,42)(H,40,43)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay				J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50293018 (CHEMBL500094 | N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(NC(=O)c5cnc6ccccc6c5)c4)cc3)Cc2cc1OC Show InChI InChI=1S/C37H36N4O4/c1-24-8-11-28(19-33(24)40-37(43)29-18-27-6-4-5-7-32(27)38-22-29)36(42)39-31-12-9-25(10-13-31)14-16-41-17-15-26-20-34(44-2)35(45-3)21-30(26)23-41/h4-13,18-22H,14-17,23H2,1-3H3,(H,39,42)(H,40,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assay				J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50293018 (CHEMBL500094 | N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(NC(=O)c5cnc6ccccc6c5)c4)cc3)Cc2cc1OC Show InChI InChI=1S/C37H36N4O4/c1-24-8-11-28(19-33(24)40-37(43)29-18-27-6-4-5-7-32(27)38-22-29)36(42)39-31-12-9-25(10-13-31)14-16-41-17-15-26-20-34(44-2)35(45-3)21-30(26)23-41/h4-13,18-22H,14-17,23H2,1-3H3,(H,39,42)(H,40,43)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCB1 overexpressed in human KBv1 cells by flow cytometric-based calcein-AM efflux assay				J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4
					More data for this Ligand-Target Pair