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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50131898   

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...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1 Show InChI InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+/t15-/m0/s1	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...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1 Show InChI InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+/t15-/m0/s1	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...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1 Show InChI InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+/t15-/m0/s1	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...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1 Show InChI InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+/t15-/m0/s1	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...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1 Show InChI InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+/t15-/m0/s1	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...) Show SMILES C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1 Show InChI InChI=1S/C21H22F2N2O2/c1-15(24-21(26)9-4-16-2-6-18(22)7-3-16)17-5-8-19(23)20(14-17)25-10-12-27-13-11-25/h2-9,14-15H,10-13H2,1H3,(H,24,26)/b9-4+/t15-/m0/s1	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