BDBM14697 4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]carbamoyl}ethyl]benzene-1,2-diphosphonic acid::CHEMBL319516::Inhibitor 9::N-alpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphono-L-phenylalaninamide::RU83876
SMILES: CC(=O)N[C@@H](Cc1ccc(c(c1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
InChI Key: InChIKey=WCMLXBUNHNAMNH-UIOOFZCWSA-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)) | BDBM14697 (4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Curated by ChEMBL | Assay Description Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase | J Med Chem 45: 2915-22 (2002) BindingDB Entry DOI: 10.7270/Q2ZW1MNM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Proto-oncogene tyrosine-protein kinase Src (aa 145-252) (Homo sapiens (Human)) | BDBM14697 (4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 2.00E+3 | 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) |