BDBM50536039 CHEMBL4568684

SMILES: COc1ccc(cc1OC)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=BMRWUKOSTIFBRE-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 = 50536039   

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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50536039 (CHEMBL4568684) Show SMILES COc1ccc(cc1OC)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N2O3/c1-32-22-10-8-16(14-23(22)33-2)26(31)30-12-11-18-17-5-3-4-6-21(17)29-24(18)25(30)15-7-9-19(27)20(28)13-15/h3-10,13-14,25,29H,11-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human A2780/ADR cells assessed as reduction in calcein AM efflux pre-incubated for 30 mins before calcein AM addition and meas...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50536039 (CHEMBL4568684) Show SMILES COc1ccc(cc1OC)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C26H22Cl2N2O3/c1-32-22-10-8-16(14-23(22)33-2)26(31)30-12-11-18-17-5-3-4-6-21(17)29-24(18)25(30)15-7-9-19(27)20(28)13-15/h3-10,13-14,25,29H,11-12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	698	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux pre-incubated for 30 mins before Hoechst 33342 addit...				J Med Chem 59: 6121-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00035
					More data for this Ligand-Target Pair