BDBM50140864 4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-9-carbonitrile::CHEMBL430925

SMILES: Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C#N)c32)cc1F

InChI Key: InChIKey=SSVKVLXZFGLEOP-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 = 50140864   

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))	BDBM50140864 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C#N)c32)cc1F Show InChI InChI=1S/C23H20F2N6/c24-17-5-4-15(12-18(17)25)6-7-30-8-10-31(11-9-30)23-22-21(27-14-28-23)20-16(13-26)2-1-3-19(20)29-22/h1-5,12,14,29H,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	169	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))	BDBM50140864 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C#N)c32)cc1F Show InChI InChI=1S/C23H20F2N6/c24-17-5-4-15(12-18(17)25)6-7-30-8-10-31(11-9-30)23-22-21(27-14-28-23)20-16(13-26)2-1-3-19(20)29-22/h1-5,12,14,29H,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	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))	BDBM50140864 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C#N)c32)cc1F Show InChI InChI=1S/C23H20F2N6/c24-17-5-4-15(12-18(17)25)6-7-30-8-10-31(11-9-30)23-22-21(27-14-28-23)20-16(13-26)2-1-3-19(20)29-22/h1-5,12,14,29H,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	277	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))	BDBM50140864 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c2[nH]c2cccc(C#N)c32)cc1F Show InChI InChI=1S/C23H20F2N6/c24-17-5-4-15(12-18(17)25)6-7-30-8-10-31(11-9-30)23-22-21(27-14-28-23)20-16(13-26)2-1-3-19(20)29-22/h1-5,12,14,29H,6-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 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