BDBM50344758 CHEMBL1779521::N-{4-[2-(7-Methoxy-6-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-phenyl}-2-[(quinoline-6-carbonyl)-amino]-terephthalamic acid trifluoroacetic acid

SMILES: COCCOCCOCCOc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)Cc2cc1OC

InChI Key: InChIKey=DCENPAKGFOQFKF-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 = 50344758   

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))	BDBM50344758 (CHEMBL1779521 | N-{4-[2-(7-Methoxy-6-{2-[2-(2-meth...) Show SMILES COCCOCCOCCOc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)Cc2cc1OC Show InChI InChI=1S/C43H46N4O9/c1-52-18-19-54-20-21-55-22-23-56-40-26-30-14-17-47(28-34(30)27-39(40)53-2)16-13-29-5-9-35(10-6-29)45-41(48)33-7-11-36(43(50)51)38(25-33)46-42(49)32-8-12-37-31(24-32)4-3-15-44-37/h3-12,15,24-27H,13-14,16-23,28H2,1-2H3,(H,45,48)(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	>5.00E+4	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))	BDBM50344758 (CHEMBL1779521 | N-{4-[2-(7-Methoxy-6-{2-[2-(2-meth...) Show SMILES COCCOCCOCCOc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)Cc2cc1OC Show InChI InChI=1S/C43H46N4O9/c1-52-18-19-54-20-21-55-22-23-56-40-26-30-14-17-47(28-34(30)27-39(40)53-2)16-13-29-5-9-35(10-6-29)45-41(48)33-7-11-36(43(50)51)38(25-33)46-42(49)32-8-12-37-31(24-32)4-3-15-44-37/h3-12,15,24-27H,13-14,16-23,28H2,1-2H3,(H,45,48)(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	>5.00E+4	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