BDBM50140804 4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-2-pyridin-4-yl-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile::CHEMBL26635
SMILES: Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2ccncc2)cc1F
InChI Key: InChIKey=LWMRNOHPZGMUEC-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50140804 (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 | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line | J Med Chem 47: 1329-38 (2004) Article DOI: 10.1021/jm031011g BindingDB Entry DOI: 10.7270/Q25Q4VH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus) | BDBM50140804 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 cell line | J Med Chem 47: 1329-38 (2004) Article DOI: 10.1021/jm031011g BindingDB Entry DOI: 10.7270/Q25Q4VH0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50140804 (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 |