BDBM50131898 (E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-ethyl]-3-(4-fluoro-phenyl)-acrylamide::(S,E)-N-(1-(4-fluoro-3-morpholinophenyl)ethyl)-3-(4-fluorophenyl)acrylamide::CHEMBL100379::N-[1-(4-Fluoro-3-morpholin-4-yl-phenyl)-ethyl]-3-(4-fluoro-phenyl)-acrylamide
SMILES: C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1
InChI Key: InChIKey=GJTBBHPPJLHWKQ-ULYATVDSSA-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)) | BDBM50131898 ((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...) | 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 | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 45 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50131898 ((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...) | 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 | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 5 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
KCNQ (Kv7) potassium channel (Homo sapiens (Human)) | BDBM50131898 ((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Effective concentration against Potassium voltage gated channel, KQT-like subfamily, member 2 expressed in SH-SY5Y human neuroblastoma cells | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
KCNQ (Kv7) potassium channel (Homo sapiens (Human)) | BDBM50131898 ((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Effective concentration against Potassium voltage gated channel KQT-like subfamily, member 2 expressed in HEK 293 cells | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50131898 ((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...) | 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 | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 using BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 30 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50131898 ((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...) | 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 | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 15 minutes | J Med Chem 46: 3778-81 (2003) Article DOI: 10.1021/jm034111v BindingDB Entry DOI: 10.7270/Q2RJ4K66 | |||||||||||
More data for this Ligand-Target Pair |