BDBM50293012 CHEMBL457439::Methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl)aminocarbonyl)-2-(5-methylpyrazine-2-carbonylamino)benzoate

SMILES: COC(=O)c1ccc(cc1NC(=O)c1cnc(C)cn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key: InChIKey=MMLZVVUSFLUJIM-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 = 50293012   

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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50293012 (CHEMBL457439 | Methyl 4-((4-(2-(6,7-dimethoxy-1,2,...) Show SMILES COC(=O)c1ccc(cc1NC(=O)c1cnc(C)cn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C34H35N5O6/c1-21-18-36-29(19-35-21)33(41)38-28-15-24(7-10-27(28)34(42)45-4)32(40)37-26-8-5-22(6-9-26)11-13-39-14-12-23-16-30(43-2)31(44-3)17-25(23)20-39/h5-10,15-19H,11-14,20H2,1-4H3,(H,37,40)(H,38,41)	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	552	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))	BDBM50293012 (CHEMBL457439 | Methyl 4-((4-(2-(6,7-dimethoxy-1,2,...) Show SMILES COC(=O)c1ccc(cc1NC(=O)c1cnc(C)cn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C34H35N5O6/c1-21-18-36-29(19-35-21)33(41)38-28-15-24(7-10-27(28)34(42)45-4)32(40)37-26-8-5-22(6-9-26)11-13-39-14-12-23-16-30(43-2)31(44-3)17-25(23)20-39/h5-10,15-19H,11-14,20H2,1-4H3,(H,37,40)(H,38,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.70E+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
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50293012 (CHEMBL457439 | Methyl 4-((4-(2-(6,7-dimethoxy-1,2,...) Show SMILES COC(=O)c1ccc(cc1NC(=O)c1cnc(C)cn1)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C34H35N5O6/c1-21-18-36-29(19-35-21)33(41)38-28-15-24(7-10-27(28)34(42)45-4)32(40)37-26-8-5-22(6-9-26)11-13-39-14-12-23-16-30(43-2)31(44-3)17-25(23)20-39/h5-10,15-19H,11-14,20H2,1-4H3,(H,37,40)(H,38,41)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+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