BDBM50344757 CHEMBL1779522::N-{4-[2-(6-Methoxy-7-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-phenyl}-2-[(quinoline-2-carbonyl)-amino]-terephthalamic acid trifluoroacetic acid

SMILES: COCCOCCOCCOc1cc2CN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC

InChI Key: InChIKey=FWRLTIUOAWAJCM-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 = 50344757   

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))	BDBM50344757 (CHEMBL1779522 | N-{4-[2-(6-Methoxy-7-{2-[2-(2-meth...) Show SMILES COCCOCCOCCOc1cc2CN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC Show InChI InChI=1S/C43H46N4O9/c1-52-19-20-54-21-22-55-23-24-56-40-27-33-28-47(18-16-31(33)26-39(40)53-2)17-15-29-7-11-34(12-8-29)44-41(48)32-9-13-35(43(50)51)38(25-32)46-42(49)37-14-10-30-5-3-4-6-36(30)45-37/h3-14,25-27H,15-24,28H2,1-2H3,(H,44,48)(H,46,49)(H,50,51)	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	>6.20E+3	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))	BDBM50344757 (CHEMBL1779522 | N-{4-[2-(6-Methoxy-7-{2-[2-(2-meth...) Show SMILES COCCOCCOCCOc1cc2CN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)CCc2cc1OC Show InChI InChI=1S/C43H46N4O9/c1-52-19-20-54-21-22-55-23-24-56-40-27-33-28-47(18-16-31(33)26-39(40)53-2)17-15-29-7-11-34(12-8-29)44-41(48)32-9-13-35(43(50)51)38(25-32)46-42(49)37-14-10-30-5-3-4-6-36(30)45-37/h3-14,25-27H,15-24,28H2,1-2H3,(H,44,48)(H,46,49)(H,50,51)	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+5	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