BindingDB PrimarySearch

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SMILES: Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O

InChI Key: InChIKey=HKHOVJYOELRGMV-XYOKQWHBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 4304
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
Large T antigen (Simian virus 40)	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZK5F47
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.5	4
Hebrew University of Jerusalem					Assay Description The assay was using Swiss 3T3 cell membranes harboring EGF-R or PDGFR-beta. Receptor autophosphorylation was initiated by addition of [gamma-32P]ATP ...				J Med Chem 39: 2170-7 (1996) Article DOI: 10.1021/jm950727b BindingDB Entry DOI: 10.7270/Q2QF8R2N
Hebrew University of Jerusalem					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The assay was using Swiss 3T3 cell membranes harboring EGF-R or PDGFR-beta. Receptor autophosphorylation was initiated by addition of [gamma-32P]ATP ...				J Med Chem 39: 2170-7 (1996) Article DOI: 10.1021/jm950727b BindingDB Entry DOI: 10.7270/Q2QF8R2N
Hebrew University of Jerusalem					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	6.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM286J
					More data for this Ligand-Target Pair
26S proteasome non-ATPase regulatory subunit 14 (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2PC30Z9
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor autophosphorylation				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2C (RAT-Rattus norvegicus (Rat))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Oregon Curated by ChEMBL					Assay Description Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2C.				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2B (Rattus norvegicus (Rat)-RAT)	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B.				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1/2A (Rattus norvegicus (Rat)-RAT)	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Oregon Curated by ChEMBL					Assay Description Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2A.				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 34: 1896-907 (1991) Article DOI: 10.1021/jm00110a022 BindingDB Entry DOI: 10.7270/Q2KW5D7V
Hebrew University of Jerusalem					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description Inhibition of ERBB2 receptor autophosphorylation				J Med Chem 42: 3412-20 (1999) Article DOI: 10.1021/jm990199u BindingDB Entry DOI: 10.7270/Q2RR1XFD
University of Oregon Curated by ChEMBL					More data for this Ligand-Target Pair