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

Data  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50131898   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50131898((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 45 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50131898((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 5 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily KQT member 2(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50131898((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...)
Affinity DataEC50:  1.55E+3nMAssay Description:Effective concentration against Potassium voltage gated channel, KQT-like subfamily, member 2 expressed in SH-SY5Y human neuroblastoma cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily KQT member 2(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50131898((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...)
Affinity DataEC50:  1.20E+3nMAssay Description:Effective concentration against Potassium voltage gated channel KQT-like subfamily, member 2 expressed in HEK 293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50131898((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 using BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 30 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50131898((E)-N-[1-((S)-4-Fluoro-3-morpholin-4-yl-phenyl)-et...)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of recombinant human Cytochrome P450 3A4 with BFC [7-benzyloxy-4-trifluoromethylcoumarin] after 15 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed