BDBM50109786 3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(3-propyl-phenyl)-3H-quinazolin-4-one::CHEMBL152590

SMILES: CCCc1cccc(c1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1

InChI Key: InChIKey=ZWPGIWZXXUHJCV-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 = 50109786   

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)	BDBM50109786 (3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...) Show SMILES CCCc1cccc(c1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C30H33N3O3/c1-4-8-21-9-7-10-23(17-21)29-31-26-12-6-5-11-25(26)30(34)33(29)16-15-32-14-13-22-18-27(35-2)28(36-3)19-24(22)20-32/h5-7,9-12,17-19H,4,8,13-16,20H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	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))	BDBM50109786 (3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...) Show SMILES CCCc1cccc(c1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C30H33N3O3/c1-4-8-21-9-7-10-23(17-21)29-31-26-12-6-5-11-25(26)30(34)33(29)16-15-32-14-13-22-18-27(35-2)28(36-3)19-24(22)20-32/h5-7,9-12,17-19H,4,8,13-16,20H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+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