BindingDB PrimarySearch

null

SMILES: C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1

InChI Key: InChIKey=QMIMHUDEVKGOTQ-DVQDXYAYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50130610
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Potassium voltage-gated channel subfamily KQT member 2/3 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Effect on resting membrane potential in SH-SY5Y human neuroblastoma cells expressing native KCNQ channels				J Med Chem 46: 3197-200 (2003) Article DOI: 10.1021/jm034073f BindingDB Entry DOI: 10.7270/Q2D21X11
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Effect on outward potassium currents in whole-cell patchclamp assay of HEK 293 cells expressing cloned mouse KCNQ2 channel at -40 mV				Bioorg Med Chem Lett 15: 363-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.065 BindingDB Entry DOI: 10.7270/Q2J967KG
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+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 2C9 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	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 2C9				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 1A2 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+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 1A2				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))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60E+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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+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))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+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]				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
Aromatase (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+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 19A1				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))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+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))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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 2D6				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
Potassium voltage-gated channel subfamily KQT member 2 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	690	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60E+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 Benzoylresorufin				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
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay				Bioorg Med Chem Lett 23: 6188-91 (2013) Article DOI: 10.1016/j.bmcl.2013.08.092 BindingDB Entry DOI: 10.7270/Q2F76F0Q
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Induced current in Xenopus laevis oocytes expressing cloned mKCNQ2 channels				J Med Chem 46: 3197-200 (2003) Article DOI: 10.1021/jm034073f BindingDB Entry DOI: 10.7270/Q2D21X11
					More data for this Ligand-Target Pair