BDBM50109804 3-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-2-(4-dimethylamino-phenyl)-3H-quinazolin-4-one::CHEMBL357996

SMILES: CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=FYNPNAQICGVBPO-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 = 50109804   

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)	BDBM50109804 (3-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-2-(4-dimethy...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H33N5O/c1-31(2)25-14-12-24(13-15-25)28-30-27-11-7-6-10-26(27)29(35)34(28)21-20-32-16-18-33(19-17-32)22-23-8-4-3-5-9-23/h3-15H,16-22H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+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))	BDBM50109804 (3-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-2-(4-dimethy...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H33N5O/c1-31(2)25-14-12-24(13-15-25)28-30-27-11-7-6-10-26(27)29(35)34(28)21-20-32-16-18-33(19-17-32)22-23-8-4-3-5-9-23/h3-15H,16-22H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+4	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