BDBM50109784 2-(4-Dimethylamino-phenyl)-3-{2-[4-(3,4,5-trimethoxy-benzoyl)-piperazin-1-yl]-ethyl}-3H-quinazolin-4-one::CHEMBL356477

SMILES: COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)CC1

InChI Key: InChIKey=VYGKCLUENLMXGE-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 = 50109784   

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
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM50109784 (2-(4-Dimethylamino-phenyl)-3-{2-[4-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C32H37N5O5/c1-34(2)24-12-10-22(11-13-24)30-33-26-9-7-6-8-25(26)32(39)37(30)19-16-35-14-17-36(18-15-35)31(38)23-20-27(40-3)29(42-5)28(21-23)41-4/h6-13,20-21H,14-19H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.				Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50109784 (2-(4-Dimethylamino-phenyl)-3-{2-[4-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C32H37N5O5/c1-34(2)24-12-10-22(11-13-24)30-33-26-9-7-6-8-25(26)32(39)37(30)19-16-35-14-17-36(18-15-35)31(38)23-20-27(40-3)29(42-5)28(21-23)41-4/h6-13,20-21H,14-19H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells				Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9
					More data for this Ligand-Target Pair