BDBM50140860 4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-8-(pyrrolidine-1-sulfonyl)-5H-pyrimido[5,4-b]indole::CHEMBL27128

SMILES: Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cc(ccc4[nH]c23)S(=O)(=O)N2CCCC2)cc1F

InChI Key: InChIKey=YYLHEIDJNAZEPK-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 = 50140860   

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))	BDBM50140860 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cc(ccc4[nH]c23)S(=O)(=O)N2CCCC2)cc1F Show InChI InChI=1S/C26H28F2N6O2S/c27-21-5-3-18(15-22(21)28)7-10-32-11-13-33(14-12-32)26-25-24(29-17-30-26)20-16-19(4-6-23(20)31-25)37(35,36)34-8-1-2-9-34/h3-6,15-17,31H,1-2,7-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	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))	BDBM50140860 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cc(ccc4[nH]c23)S(=O)(=O)N2CCCC2)cc1F Show InChI InChI=1S/C26H28F2N6O2S/c27-21-5-3-18(15-22(21)28)7-10-32-11-13-33(14-12-32)26-25-24(29-17-30-26)20-16-19(4-6-23(20)31-25)37(35,36)34-8-1-2-9-34/h3-6,15-17,31H,1-2,7-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+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))	BDBM50140860 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cc(ccc4[nH]c23)S(=O)(=O)N2CCCC2)cc1F Show InChI InChI=1S/C26H28F2N6O2S/c27-21-5-3-18(15-22(21)28)7-10-32-11-13-33(14-12-32)26-25-24(29-17-30-26)20-16-19(4-6-23(20)31-25)37(35,36)34-8-1-2-9-34/h3-6,15-17,31H,1-2,7-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140860 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cc(ccc4[nH]c23)S(=O)(=O)N2CCCC2)cc1F Show InChI InChI=1S/C26H28F2N6O2S/c27-21-5-3-18(15-22(21)28)7-10-32-11-13-33(14-12-32)26-25-24(29-17-30-26)20-16-19(4-6-23(20)31-25)37(35,36)34-8-1-2-9-34/h3-6,15-17,31H,1-2,7-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	542	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