BDBM4301 (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide::CHEMBL296407::Tyrphostin deriv. 40::benzylidenemalononitrile (BMN) deriv. 46

SMILES: NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N

InChI Key: InChIKey=USOXQZNJFMKTKJ-XVNBXDOJSA-N

Data: 1 KI  13 IC50

PDB links: 1 PDB ID matches this monomer.

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 13 hits for monomerid = 4301   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.50E+3	n/a	1.00E+4	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 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 integrase.				J Med Chem 38: 4171-8 (1995) BindingDB Entry DOI: 10.7270/Q2SB44R7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Ability to inhibit autophosphorylation of immunopurified p56Ick				J Med Chem 36: 425-32 (1993) BindingDB Entry DOI: 10.7270/Q2CV4GTQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Ability to inhibit autophosphorylation of immunopurified p56Ick				J Med Chem 36: 425-32 (1993) BindingDB Entry DOI: 10.7270/Q2CV4GTQ
					More data for this Ligand-Target Pair
Dynamin-1 (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibitory activity against dynamin1 GTPase expressed in sheep brain				J Med Chem 48: 7781-8 (2005) Article DOI: 10.1021/jm040208l BindingDB Entry DOI: 10.7270/Q2BC3Z41
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.46E+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 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))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor				Bioorg Med Chem Lett 1: 165-168 (1991) Article DOI: 10.1016/S0960-894X(01)80792-7 BindingDB Entry DOI: 10.7270/Q2WH2PWJ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of epidermal growth factor receptor (EGFR)				Bioorg Med Chem Lett 2: 1771-1774 (1992) Article DOI: 10.1016/S0960-894X(00)80473-4 BindingDB Entry DOI: 10.7270/Q2SF2W33
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	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
					More data for this Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of human recombinant Tdp1 assessed as conversion of 14-mer 5'-32P-labeled 3'-phosphotyrosyl DNA substrate N14Y to 14-mer 5'-32P-labeled 3'...				J Med Chem 55: 8671-84 (2012) Article DOI: 10.1021/jm3008773 BindingDB Entry DOI: 10.7270/Q2MP54D1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.47E+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))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB 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 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
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p56 lck tyrosine kinase				Bioorg Med Chem Lett 1: 165-168 (1991) Article DOI: 10.1016/S0960-894X(01)80792-7 BindingDB Entry DOI: 10.7270/Q2WH2PWJ
					More data for this Ligand-Target Pair