BDBM14696 4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-formylbenzoic acid::4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]carbamoyl}ethyl]-2-formylbenzoic acid::Inhibitor 8::RU82197
SMILES: CC(=O)N[C@@H](Cc1ccc(C(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
InChI Key: InChIKey=WKTQBTSOHBKBRW-VMPREFPWSA-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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Proto-oncogene tyrosine-protein kinase Src [145-252] (Homo sapiens (Human)) | BDBM14696 (4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylm...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 120 | 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) |