BDBM4339 (3,4-Dihydroxybenzylidene)malononitrile::2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile::benzylidenemalononitrile (BMN) deriv. 23::cid_2052
SMILES: [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
InChI Key: InChIKey=VTJXFTPMFYAJJU-UHFFFAOYSA-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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PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sandia National Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant PYK2 by ESI-MS analysis | J Med Chem 55: 1926-39 (2012) Article DOI: 10.1021/jm200979x BindingDB Entry DOI: 10.7270/Q2R212DQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sandia National Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant ZAP70 using EEEEYEEEE as substrate by ESI-MS analysis | J Med Chem 55: 1926-39 (2012) Article DOI: 10.1021/jm200979x BindingDB Entry DOI: 10.7270/Q2R212DQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 1.10E+4 | -6.69 | 3.50E+4 | n/a | n/a | n/a | n/a | 7.6 | 22 |
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 | |||||||||||
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Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of the West of Scotland Curated by ChEMBL | Assay Description Inhibition of aromatase | Bioorg Med Chem Lett 19: 4698-701 (2009) Article DOI: 10.1016/j.bmcl.2009.06.070 BindingDB Entry DOI: 10.7270/Q29K4B72 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of EGFR autophosphorylation | Proc Natl Acad Sci USA 104: 20523-8 (2007) Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 9.97E+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, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2H130G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alkaline phosphatase placental-like (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >1.00E+5 | 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, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NS0SCW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Intestinal alkaline phosphatase (Homo sapiens (Human)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | >1.00E+5 | 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, San Diego, CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2X63KDM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpi (Rattus norvegicus (Rat)) | BDBM4339 ((3,4-Dihydroxybenzylidene)malononitrile | 2-[(3,4-...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 4.22E+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, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DB809V | |||||||||||
More data for this Ligand-Target Pair |