Compile Data Set for Download or QSAR

Found 12 hits of Enzyme Inhibition Constant Data   

TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379279(CHEMBL2011502)copy SMILEScopy InChI
Affinity DataKi:  4.50E+4nMAssay Description:Negative allosteric modulation at M2 receptor by AS-MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetAurora kinase A(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM36470(2-(4-(3,4-Dimethoxyphenylamino)-6-(quinolin-6-ylam...)copy SMILEScopy InChI
Affinity DataIC50: 270nMAssay Description:Competitive inhibition of Aurora A by DEL methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379280(CHEMBL2011503)copy SMILEScopy InChI
Affinity DataIC50: 680nMAssay Description:Inhibition of SRC by DEL methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM31286(benzodiazepinedione, 2)copy SMILEScopy InChI
Affinity DataKd:  4.80E+3nMAssay Description:Displacement of fluorescein-labeled p53 peptide from HDM2 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetPirin(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379276(CHEMBL1230119)copy SMILEScopy InChI
Affinity DataKd:  600nMAssay Description:Antagonist activity at pirin by ITC assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetMitogen-activated protein kinase 8(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379277(CHEMBL90825)copy SMILEScopy InChI
Affinity DataKd:  1.60E+4nMAssay Description:Binding affinity to JNK1 allosteric site by AS-MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMedMMDB
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379278(CHEMBL2011501)copy SMILEScopy InChI
Affinity DataKd:  700nMAssay Description:Orthosteric antagonist activity at M2 receptor by AS-MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379281(CHEMBL2011504)copy SMILEScopy InChI
Affinity DataKd:  930nMAssay Description:Displacement of BakBH3 from Bcl-xL by DEL methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetEWS-Fli1 protein(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379275(CHEMBL2011500)copy SMILEScopy InChI
Affinity DataKd:  9.48E+3nMAssay Description:Inhibition of interaction of EWS-Fli1 to GST-tagged RNA Helicase A (647-1075) by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetE3 ubiquitin-protein ligase Mdm2(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM31285(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)copy SMILEScopy InChI
Affinity DataKd:  80nMAssay Description:Displacement of fluorescein-labeled p53 peptide from HDM2 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetETS translocation variant 1(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379275(CHEMBL2011500)copy SMILEScopy InChI
Affinity DataKd:  1.74E+4nMAssay Description:Binding affinity to ETV1 by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
TargetTranscriptional regulator ERG(Homo sapiens (Human))
Broad Institute of Harvard and MIT

Curated by ChEMBL
LigandPNGBDBM50379275(CHEMBL2011500)copy SMILEScopy InChI
Affinity DataKd:  1.17E+4nMAssay Description:Binding affinity to ERG by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6CVSPubMed
* indicates data uncertainty>20%