BDBM50140866 4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-8-carboxylic acid methyl ester::CHEMBL27257
SMILES: COC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
InChI Key: InChIKey=RCMQDUQWTWKKOT-UHFFFAOYSA-N
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-glycoprotein (P-gp) (Mus musculus (Mouse)) | BDBM50140866 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) | 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 | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50140866 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 113 | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50140866 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) | 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 | 2.53E+3 | 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)) | BDBM50140866 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) | 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)) | BDBM50140866 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 731 | 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)) | BDBM50140866 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 59 | 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 |