Compile Data Set for Download or QSAR
Report error Found 65 Enz. Inhib. hit(s) with all data for entry = 50012062
LigandPNGBDBM50531540(CHEBI:75998 | GSK-1120212 | GSK1120212 | JTP 74057...)
Affinity DataIC50: 1nMAssay Description:Inhibition of MEK in human KYSE-520 cells assessed as reduction in p-ERK levelsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM408067(US10336774, Example 52 | US12053470, Compound 11)
Affinity DataIC50: 7nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50539763(Adagrasib | Mrtx-849 | Mrtx849)
Affinity DataIC50: 10nMAssay Description:Inhibition of KRAS G12C mutant in human MIA PaCa-2 cells assessed as reduction in p-ERK levelsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553790(CHEMBL4763213 | US12053470, Compound 23)
Affinity DataIC50: 10nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553783(Ptpn11 inhibitor tno155 | Shp2 inhibitor tno155 | ...)
Affinity DataIC50: 11nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50553783(Ptpn11 inhibitor tno155 | Shp2 inhibitor tno155 | ...)
Affinity DataIC50: 11nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50553787(CHEMBL4755819 | US12053470, Compound 5)
Affinity DataIC50: 12nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553790(CHEMBL4763213 | US12053470, Compound 23)
Affinity DataIC50: 13nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553789(CHEMBL4747789 | US12053470, Compound 6)
Affinity DataIC50: 14nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM5446(Erlotinib | OSI-774 | N-(3-ethynylphenyl)-6,7-bis(...)
Affinity DataIC50: 15nMAssay Description:Inhibition of EGFR in human KYSE-520 cells assessed as reduction in p-ERK levelsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50553791(CHEMBL4743002)
Affinity DataIC50: 17nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 17nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM392338(US10301278, Example 20)
Affinity DataIC50: 22nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392323(3-((2-amino-3-chloropyridin-4-yl)thio)-6-(4-(amino...)
Affinity DataIC50: 23nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553789(CHEMBL4747789 | US12053470, Compound 6)
Affinity DataIC50: 24nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553791(CHEMBL4743002)
Affinity DataIC50: 28nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553784(CHEMBL4762625)
Affinity DataIC50: 29nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM392315(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(...)
Affinity DataIC50: 29nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50514402(CHEMBL4535757 | US11345701, Compound Amg-510)
Affinity DataIC50: 30nMAssay Description:Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in p-ERK levelsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553787(CHEMBL4755819 | US12053470, Compound 5)
Affinity DataIC50: 40nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392347(US10301278, Example 30)
Affinity DataIC50: 67nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50: 70nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392330(US10301278, Example 2)
Affinity DataIC50: 70nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM38027(US10093646, Example 8 | US10774065, Example 8 | US...)
Affinity DataIC50: 76nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM88120(US9694016, 1156 | US10245267, Example 1156 | US107...)
Affinity DataIC50: 78nMAssay Description:Inhibition of RAF in human A-375 cells assessed as reduction in p-ERK levelsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 88nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM392338(US10301278, Example 20)
Affinity DataIC50: 89nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM408067(US10336774, Example 52 | US12053470, Compound 11)
Affinity DataIC50: 99nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392323(3-((2-amino-3-chloropyridin-4-yl)thio)-6-(4-(amino...)
Affinity DataIC50: 123nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553788(CHEMBL4778151)
Affinity DataIC50: 166nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392315(6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-((2-(...)
Affinity DataIC50: 187nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553784(CHEMBL4762625)
Affinity DataIC50: 195nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50: 250nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392330(US10301278, Example 2)
Affinity DataIC50: 251nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50534400(CHEMBL4445214)
Affinity DataIC50: 260nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50534397(CHEMBL4540461)
Affinity DataIC50: 300nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392347(US10301278, Example 30)
Affinity DataIC50: 339nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM38027(US10093646, Example 8 | US10774065, Example 8 | US...)
Affinity DataIC50: 357nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50534397(CHEMBL4540461)
Affinity DataIC50: 620nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50534394(CHEMBL4453719)
Affinity DataIC50: 1.30E+3nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM38027(US10093646, Example 8 | US10774065, Example 8 | US...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553788(CHEMBL4778151)
Affinity DataIC50: 1.80E+3nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50534400(CHEMBL4445214)
Affinity DataIC50: 1.98E+3nMAssay Description:Allosteric inhibition of human SHP2 in human KYSE-520 cells assessed as reduction in ERK1/2 phosphorylation by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553786(CHEMBL4789106)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553784(CHEMBL4762625)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM38021(US10093646, Compound 2 | US10301278, Example 00004...)
Affinity DataIC50: 5.70E+3nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50553787(CHEMBL4755819 | US12053470, Compound 5)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM392330(US10301278, Example 2)
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of human ERG by Q-patch assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50534401(CHEMBL4585337)
Affinity DataIC50: 6.50E+3nMAssay Description:Allosteric inhibition of 6x-histidine tagged human SHP2 (Met1-L525 residues) expressed in Escherichia coli BL21 Star (DE3) using IRS1_pY1172(dPEG8)pY...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
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