BDBM14690 2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]carbamoyl}ethyl]phenyl}propanedioic acid::CHEMBL421518::Inhibitor 2::RU85052::{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-carboxyphenyl}propanedioic acid
SMILES: CC(=O)N[C@@H](Cc1ccc(C(C(O)=O)C(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
InChI Key: InChIKey=CGOGPQNYHFBUEF-NSOVKSMOSA-N
Data: 3 IC50
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM14690 (2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-...) | PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 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) | ||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM14690 (2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 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 (Homo sapiens (Human)) | BDBM14690 (2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Curated by ChEMBL | Assay Description Binding affinity towards Src protein tryrosine kinase SH2 domain using scintillation proximity binding assay (SPA) | J Med Chem 45: 2379-87 (2002) BindingDB Entry DOI: 10.7270/Q21J992G | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |