BDBM50344760 CHEMBL1779519::N-{4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-phenyl}-2-[(quinoline-6-carbonyl)-amino]-terephthalamic acid trifluoroacetic acid

SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)Cc2cc1OC

InChI Key: InChIKey=FKSZETRAJNMSIC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50344760   

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))	BDBM50344760 (CHEMBL1779519 | N-{4-[2-(6,7-Dimethoxy-3,4-dihydro...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)Cc2cc1OC Show InChI InChI=1S/C37H34N4O6/c1-46-33-20-24-14-17-41(22-28(24)21-34(33)47-2)16-13-23-5-9-29(10-6-23)39-35(42)27-7-11-30(37(44)45)32(19-27)40-36(43)26-8-12-31-25(18-26)4-3-15-38-31/h3-12,15,18-21H,13-14,16-17,22H2,1-2H3,(H,39,42)(H,40,43)(H,44,45)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Colombia Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in human MCF7/Topo cells by Hoechst microplate assay				Bioorg Med Chem Lett 21: 3654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.094 BindingDB Entry DOI: 10.7270/Q22J6C5T
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50344760 (CHEMBL1779519 | N-{4-[2-(6,7-Dimethoxy-3,4-dihydro...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)Cc2cc1OC Show InChI InChI=1S/C37H34N4O6/c1-46-33-20-24-14-17-41(22-28(24)21-34(33)47-2)16-13-23-5-9-29(10-6-23)39-35(42)27-7-11-30(37(44)45)32(19-27)40-36(43)26-8-12-31-25(18-26)4-3-15-38-31/h3-12,15,18-21H,13-14,16-17,22H2,1-2H3,(H,39,42)(H,40,43)(H,44,45)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Colombia Curated by ChEMBL					Assay Description Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assay				Bioorg Med Chem Lett 21: 3654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.094 BindingDB Entry DOI: 10.7270/Q22J6C5T
					More data for this Ligand-Target Pair