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-UHFFFAOYSA-N

Data  7 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50101077   

TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataKd:  100nMAssay Description:Binding affinity for Src SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2012
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataIC50: 1.20E+3nMAssay Description:Binding affinity for wild type Src SH2 domain using BIAcore binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataIC50: 5.00E+3nMAssay Description:Binding affinity for Src protein tyrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solutionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataKd:  100nMAssay Description:Dissociation constant against Src protein tyrosine kinase SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataIC50: 6.50E+3nMAssay Description:Inhibitory concentration against Src protein tyrosine kinase SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataIC50: 150nMAssay Description:Binding affinity for Src protein tyrosine kinase SH2 domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataIC50: 6.50E+3nMAssay Description:Binding affinity was determined on Src protein tyrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solutionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataIC50: 1.33E+3nMAssay Description:Binding affinity for Cys188Ala Src SH2 domain mutant using BIAcore binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50101077((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-phosphon...)
Affinity DataIC50: 5.60E+3nMAssay Description:Binding affinity against Src SH2 domain in competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed