BDBM4355 (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide::CHEMBL308048::benzylidenemalononitrile (BMN) deriv. 39
SMILES: NC(=O)C(=C\c1ccc(O)cc1)\C#N
InChI Key: InChIKey=ILLYSIXRHPOKIQ-VMPITWQZSA-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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Prothrombin (Homo sapiens (Human)) | BDBM4355 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide | C...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description Inhibition of human thrombin using Boc-VPR-AMC as substrate compound preincubated for 15 mins before substrate addition measured up to 10 mins by spe... | Bioorg Med Chem 19: 7318-37 (2011) Article DOI: 10.1016/j.bmc.2011.10.061 BindingDB Entry DOI: 10.7270/Q2474B8H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4355 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide | C...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | 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 | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM4355 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide | C...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.00E+5 | 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 | |||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM4355 ((2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide | C...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+6 | 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 |