BDBM50209508 CHEMBL242983::N-(2-(4-(4-(3,4-dimethoxybenzyl)piperazin-1-yl)phenylcarbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide
SMILES: COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
InChI Key: InChIKey=KFUYKTYUJHLOPQ-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | 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 | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 expressed in insect microsome using 7-benzyloxy-4-trifluoromethylcoumarin substrate after 30 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Reversal of P-gp-mediated multidrug resistance to vinblastine in human CEM/VLB500 cells after 3 days by resazurin assay | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | 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 | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP2E1 expressed in insect microsome using 7-benzyloxyquinoline substrate after 30 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP2D6 expressed in insect microsome after 30 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP2C9 expressed in insect microsome after 45 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP2B6 expressed in insect microsome after 30 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 expressed in insect microsome after 15 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 393 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP2C19 expressed in insect microsome after 30 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50209508 (CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Laval Curated by ChEMBL | Assay Description Inhibition of human CYP2C8 expressed in insect microsome after 30 mins | Bioorg Med Chem 15: 3854-68 (2007) Article DOI: 10.1016/j.bmc.2007.03.014 BindingDB Entry DOI: 10.7270/Q2X63MN5 | |||||||||||
More data for this Ligand-Target Pair |