BDBM4363 (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethioamide::AG 213::CHEMBL77030::RG-50864::T7540 (Tyrphostin 47)::Tyrphostin A47::alpha-Cyano-(3,4-dihydroxy)thiocinnamide::benzylidenemalononitrile (BMN) deriv. 47
SMILES: NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
InChI Key: InChIKey=ZGHQGWOETPXKLY-XVNBXDOJSA-N
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 |
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Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 850 | n/a | 2.40E+3 | 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 | |||||||||||||
cFMS -Tie-2 Chimera (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Johnson & Johnson Pharmaceutical | Assay Description The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e... | J Biol Chem 282: 4085-93 (2007) Article DOI: 10.1074/jbc.M608182200 BindingDB Entry DOI: 10.7270/Q2NK3C8N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6His.FMS.538-922(FGFR) (Human Sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Johnson & Johnson Pharmaceutical | Assay Description The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e... | J Biol Chem 282: 4085-93 (2007) Article DOI: 10.1074/jbc.M608182200 BindingDB Entry DOI: 10.7270/Q2NK3C8N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGM2/ EGFR (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | 37 |
Duke University Medical Center | Assay Description In order to eliminated fluorescence interference, chemicals were subjected to a secondary screening using colorimetric BP incorporation assay. TGase... | Chem Biol 15: 969-78 (2008) Article DOI: 10.1016/j.chembiol.2008.07.015 BindingDB Entry DOI: 10.7270/Q2DR2SZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+3 | 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 | |||||||||||||
Insulin receptor (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Molecular Physiology Curated by ChEMBL | Assay Description Inhibition of IRK | Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universität Berlin Curated by ChEMBL | Assay Description Inhibition of human EGFR tyrosine kinase activity | Eur J Med Chem 43: 1478-88 (2008) Article DOI: 10.1016/j.ejmech.2007.09.018 BindingDB Entry DOI: 10.7270/Q2D50MRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universität Berlin Curated by ChEMBL | Assay Description Inhibition of human HER2 tyrosine kinase activity | Eur J Med Chem 43: 1478-88 (2008) Article DOI: 10.1016/j.ejmech.2007.09.018 BindingDB Entry DOI: 10.7270/Q2D50MRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase SYK (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of recombinant Syk (unknown origin) | Bioorg Med Chem Lett 19: 1944-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.049 BindingDB Entry DOI: 10.7270/Q2WM1D98 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Allergan Inc. Curated by ChEMBL | Assay Description Inhibition of EGF-dependent proliferation of human and guinea pig keratinocytes; range 7-15 uM | J Med Chem 44: 281-97 (2001) BindingDB Entry DOI: 10.7270/Q2NP2541 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosyl-DNA phosphodiesterase 1 (TDP1) (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+4 | 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)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Molecular Physiology Curated by ChEMBL | Assay Description Inhibition of EGFR | Bioorg Med Chem 17: 1079-87 (2009) Article DOI: 10.1016/j.bmc.2008.02.046 BindingDB Entry DOI: 10.7270/Q2M046C4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Macrophage colony-stimulating factor 1 receptor (aa 538-972) () | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Johnson & Johnson Pharmaceutical | Assay Description The full-length cFMS cytoplasmic domain (FMS.538-972.6His) or chimera was incubated with compound in reaction buffer. Control reactions were run in e... | J Biol Chem 282: 4085-93 (2007) Article DOI: 10.1074/jbc.M608182200 BindingDB Entry DOI: 10.7270/Q2NK3C8N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dynamin-1 (Homo sapiens (Human)) | BDBM4363 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enethio...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+4 | 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 |