BDBM50074242 (2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-carboxy-butyrylamino}-4-carboxy-butyrylamino)-3-methyl-pentanoic acid::(S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-carboxy-butyrylamino}-4-carboxy-butyrylamino)-3-methyl-pentanoic acid::CHEMBL23794
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O
InChI Key: InChIKey=QDABCLMXECRBLW-ZHAMKKIJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM50074242 ((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity of the compound against p56 Lck tyrosine kinase SH2 domain was measured using glutathione S-transferase (GST) fusion protein | J Med Chem 42: 722-9 (1999) Article DOI: 10.1021/jm980612i BindingDB Entry DOI: 10.7270/Q2Q23ZDX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50074242 ((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Curated by ChEMBL | Assay Description Binding affinity for Src SH2 domain in 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 | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50074242 ((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island Curated by ChEMBL | Assay Description Concentration of compoound required for inhibiting the binding of the fluorescent probe to the c-Src tyrosine kinase SH2 domain by 50% | J Med Chem 47: 3131-41 (2004) Article DOI: 10.1021/jm040008+ BindingDB Entry DOI: 10.7270/Q25B0370 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM50074242 ((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Dissociation constant for p56 Lck tyrosine kinase SH2 domain binding to C-terminal ITAM2 phosphopeptide | J Med Chem 47: 3502-11 (2004) Article DOI: 10.1021/jm030470e BindingDB Entry DOI: 10.7270/Q28915B4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM50074242 ((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity towards p56 Lck tyrosine kinase SH2 domain was determined by biological assay | J Med Chem 42: 1757-66 (1999) Article DOI: 10.1021/jm980676t BindingDB Entry DOI: 10.7270/Q29P32BR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50074242 ((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Curated by ChEMBL | Assay Description Binding affinity for p60 c-Src SH2 domain by scintillation proximity assay (SPA) | Bioorg Med Chem Lett 12: 1287-9 (2002) BindingDB Entry DOI: 10.7270/Q2JQ10BP | |||||||||||
More data for this Ligand-Target Pair |