BDBM50101077 (1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-carboxy-butyrylamino}-4-carboxy-butyrylamino)-3-methyl-pentanoic acid::(2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-carboxy-butyrylamino}-4-carboxy-butyrylamino)-3-methyl-pentanoic acid::(S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-carboxy-1-oxo-butylamino}-4-carboxy-butyrylamino)-3-methyl-pentanoic acid::CHEMBL46851
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](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
InChI Key: InChIKey=OFTGJYFRYFOIEG-ZMKOKQNLSA-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)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity for Src SH2 domain | Bioorg Med Chem Lett 9: 2353-8 (1999) BindingDB Entry DOI: 10.7270/Q2JS9QZ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity for wild type Src SH2 domain using BIAcore binding assay | Bioorg Med Chem Lett 11: 1665-9 (2001) BindingDB Entry DOI: 10.7270/Q23J3C8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Curated by ChEMBL | Assay Description Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution | Bioorg Med Chem Lett 11: 2127-31 (2001) BindingDB Entry DOI: 10.7270/Q247495R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB 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 Rhode Island Curated by ChEMBL | Assay Description Dissociation constant against Src protein tryrosine kinase SH2 domain | Bioorg Med Chem Lett 15: 4994-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.005 BindingDB Entry DOI: 10.7270/Q2W37VWC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity against Src SH2 domain in competitive fluorescence polarization assay | J Med Chem 43: 3815-9 (2000) Article DOI: 10.1021/jm0003337 BindingDB Entry DOI: 10.7270/Q22V2JT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB 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 Curated by ChEMBL | Assay Description Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution | Bioorg Med Chem Lett 11: 2127-31 (2001) BindingDB Entry DOI: 10.7270/Q247495R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Curated by ChEMBL | Assay Description Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution | Bioorg Med Chem Lett 11: 2127-31 (2001) BindingDB Entry DOI: 10.7270/Q247495R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of trypsin in human mast cells | Bioorg Med Chem Lett 11: 1665-9 (2001) BindingDB Entry DOI: 10.7270/Q23J3C8B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50101077 ((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB 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 Inhibitory concentration against Src protein tryrosine kinase SH2 domain | Bioorg Med Chem Lett 15: 4994-7 (2005) Article DOI: 10.1016/j.bmcl.2005.08.005 BindingDB Entry DOI: 10.7270/Q2W37VWC | |||||||||||
More data for this Ligand-Target Pair |