BDBM50428350 CHEMBL2331724

SMILES: COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key: InChIKey=KTDLKOVVFMBNMC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50428350   

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))	BDBM50428350 (CHEMBL2331724) Show SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1 Show InChI InChI=1S/C37H35N3O5/c1-43-34-21-28-17-19-40(23-29(28)22-35(34)44-2)18-16-24-8-10-25(11-9-24)27-12-14-30(37(42)45-3)33(20-27)39-36(41)32-15-13-26-6-4-5-7-31(26)38-32/h4-15,20-22H,16-19,23H2,1-3H3,(H,39,41)	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	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assay				ACS Med Chem Lett 4: 393-6 (2013) Article DOI: 10.1021/ml4000832 BindingDB Entry DOI: 10.7270/Q2T72JRQ
					More data for this Ligand-Target Pair