BDBM14687 CHEMBL284362::Fragment 17::ISO24::[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID::[(4-ethylphenyl)carbamoyl]phosphonic acid
SMILES: CCc1ccc(NC(=O)P(O)(O)=O)cc1
InChI Key: InChIKey=KGNSYMGWPCEFDZ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM14687 (CHEMBL284362 | Fragment 17 | ISO24 | [(4-ETHYLPHEN...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 4.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Curated by ChEMBL | Assay Description The compound was evaluated for its binding affinity towards phosphotyrosine binding pocket of Src protein tryrosine kinase SH2 domain | Bioorg Med Chem Lett 12: 1295-8 (2002) BindingDB Entry DOI: 10.7270/Q2959GW0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Proto-oncogene tyrosine-protein kinase Src (aa 145-252) (Homo sapiens (Human)) | BDBM14687 (CHEMBL284362 | Fragment 17 | ISO24 | [(4-ETHYLPHEN...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | DrugBank MMDB PDB Article PubMed | n/a | n/a | 4.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma | Assay Description SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm... | J Med Chem 46: 5184-95 (2003) Article DOI: 10.1021/jm020970s BindingDB Entry DOI: 10.7270/Q2XW4H14 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |