BDBM50109811 (S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester::Biricodar::CHEMBL350775
SMILES: COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
InChI Key: InChIKey=CGVWPQOFHSAKRR-NDEPHWFRSA-N
Data: 5 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)) | BDBM50109811 ((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd. Curated by ChEMBL | Assay Description Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells | Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus) | BDBM50109811 ((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-p...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenova Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells. | Bioorg Med Chem Lett 12: 571-4 (2002) BindingDB Entry DOI: 10.7270/Q2PV6JP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
FK506 binding protein 4 (Homo sapiens (Human)) | BDBM50109811 ((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-p...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry Curated by ChEMBL | Assay Description Binding affinity to FKBP52 FK1 domain by fluorescence polarization assay | J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase FKBP5 (Homo sapiens (Human)) | BDBM50109811 ((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry Curated by ChEMBL | Assay Description Binding affinity to FKBP51 FK1 domain by fluorescence polarization assay | J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human)) | BDBM50109811 ((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-p...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Institute of Psychiatry Curated by ChEMBL | Assay Description Binding affinity to FKBP12 by fluorescence polarization assay | J Med Chem 55: 4114-22 (2012) Article DOI: 10.1021/jm201746x BindingDB Entry DOI: 10.7270/Q2KS6SMP | |||||||||||
More data for this Ligand-Target Pair |