BDBM50140867 9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-piperazin-1-yl}-2-methoxymethyl-5-methyl-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidine::CHEMBL25905

SMILES: COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1

InChI Key: InChIKey=LVDUAUUVOUUFCK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50140867   

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))	BDBM50140867 (9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1 Show InChI InChI=1S/C24H25ClF2N6O/c1-31-18-5-7-28-23(25)20(18)21-22(31)24(30-19(29-21)14-34-2)33-11-9-32(10-12-33)8-6-15-3-4-16(26)17(27)13-15/h3-5,7,13H,6,8-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140867 (9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1 Show InChI InChI=1S/C24H25ClF2N6O/c1-31-18-5-7-28-23(25)20(18)21-22(31)24(30-19(29-21)14-34-2)33-11-9-32(10-12-33)8-6-15-3-4-16(26)17(27)13-15/h3-5,7,13H,6,8-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM50140867 (9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1 Show InChI InChI=1S/C24H25ClF2N6O/c1-31-18-5-7-28-23(25)20(18)21-22(31)24(30-19(29-21)14-34-2)33-11-9-32(10-12-33)8-6-15-3-4-16(26)17(27)13-15/h3-5,7,13H,6,8-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50140867 (9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1 Show InChI InChI=1S/C24H25ClF2N6O/c1-31-18-5-7-28-23(25)20(18)21-22(31)24(30-19(29-21)14-34-2)33-11-9-32(10-12-33)8-6-15-3-4-16(26)17(27)13-15/h3-5,7,13H,6,8-12,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against cytochrome P450 3A4				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140867 (9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1 Show InChI InChI=1S/C24H25ClF2N6O/c1-31-18-5-7-28-23(25)20(18)21-22(31)24(30-19(29-21)14-34-2)33-11-9-32(10-12-33)8-6-15-3-4-16(26)17(27)13-15/h3-5,7,13H,6,8-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
M.D. University Curated by ChEMBL					Assay Description Inhibitory concentration against multidrug resistance associated protein 1				Bioorg Med Chem Lett 15: 4967-72 (2005) Article DOI: 10.1016/j.bmcl.2005.08.011 BindingDB Entry DOI: 10.7270/Q2X34X15
					More data for this Ligand-Target Pair