BDBM50140862 5-Benzyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidine::CHEMBL26081

SMILES: Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F

InChI Key: InChIKey=HQAXHHVZNNOKSS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50140862   

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))	BDBM50140862 (5-Benzyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F Show InChI InChI=1S/C28H26F2N6/c29-23-7-6-20(16-24(23)30)9-11-34-12-14-35(15-13-34)28-27-26(32-19-33-28)22-17-31-10-8-25(22)36(27)18-21-4-2-1-3-5-21/h1-8,10,16-17,19H,9,11-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	545	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
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM50140862 (5-Benzyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F Show InChI InChI=1S/C28H26F2N6/c29-23-7-6-20(16-24(23)30)9-11-34-12-14-35(15-13-34)28-27-26(32-19-33-28)22-17-31-10-8-25(22)36(27)18-21-4-2-1-3-5-21/h1-8,10,16-17,19H,9,11-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 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))	BDBM50140862 (5-Benzyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F Show InChI InChI=1S/C28H26F2N6/c29-23-7-6-20(16-24(23)30)9-11-34-12-14-35(15-13-34)28-27-26(32-19-33-28)22-17-31-10-8-25(22)36(27)18-21-4-2-1-3-5-21/h1-8,10,16-17,19H,9,11-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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))	BDBM50140862 (5-Benzyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F Show InChI InChI=1S/C28H26F2N6/c29-23-7-6-20(16-24(23)30)9-11-34-12-14-35(15-13-34)28-27-26(32-19-33-28)22-17-31-10-8-25(22)36(27)18-21-4-2-1-3-5-21/h1-8,10,16-17,19H,9,11-15,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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