BDBM50140836 4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-8-methoxy-9-nitro-5H-pyrimido[5,4-b]indole::CHEMBL27191

SMILES: COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1

InChI Key: InChIKey=FJCDFWMUVBMOQJ-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 = 50140836   

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))	BDBM50140836 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C23H22F2N6O3/c1-34-18-5-4-17-19(22(18)31(32)33)20-21(28-17)23(27-13-26-20)30-10-8-29(9-11-30)7-6-14-2-3-15(24)16(25)12-14/h2-5,12-13,28H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	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))	BDBM50140836 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C23H22F2N6O3/c1-34-18-5-4-17-19(22(18)31(32)33)20-21(28-17)23(27-13-26-20)30-10-8-29(9-11-30)7-6-14-2-3-15(24)16(25)12-14/h2-5,12-13,28H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	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))	BDBM50140836 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C23H22F2N6O3/c1-34-18-5-4-17-19(22(18)31(32)33)20-21(28-17)23(27-13-26-20)30-10-8-29(9-11-30)7-6-14-2-3-15(24)16(25)12-14/h2-5,12-13,28H,6-11H2,1H3	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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140836 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C23H22F2N6O3/c1-34-18-5-4-17-19(22(18)31(32)33)20-21(28-17)23(27-13-26-20)30-10-8-29(9-11-30)7-6-14-2-3-15(24)16(25)12-14/h2-5,12-13,28H,6-11H2,1H3	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
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM50140836 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES COc1ccc2[nH]c3c(ncnc3c2c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C23H22F2N6O3/c1-34-18-5-4-17-19(22(18)31(32)33)20-21(28-17)23(27-13-26-20)30-10-8-29(9-11-30)7-6-14-2-3-15(24)16(25)12-14/h2-5,12-13,28H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+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