BDBM50242325 CHEMBL4072295

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC1=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O

InChI Key InChIKey=SVUZBYDIXUMDGY-WVEXBLHFSA-N

Data  1 IC50  11 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50242325   

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataIC50:  42nMAssay Description:Inhibition of biotinylated wild-type K-Ras (unknown origin) assessed as inhibition of human SOS1 (564 to 1049 residues)-mediated BODIPY-GDP-GTP excha...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  200nMAssay Description:Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GTP by SPR as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  11nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  35nMAssay Description:Inhibition of phosphorylated ERK2 (unknown origin) using myelin basic protein as substrate after 2 hrs in presence of ATP by ADP-glo assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  250nMAssay Description:Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GDP by SPR as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  42nMAssay Description:Displacement of BODIPY-FL-GD from human wild type KRAS (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  58nMAssay Description:Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GDP by SPR as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  21nMAssay Description:Binding affinity to KRAS G12D mutant (unknown origin) assessed as dissociation constant by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  16nMAssay Description:Binding affinity to KRAS G12D mutant (unknown origin) using FAM-labelled peptide as substrate in presence of Tween20 by fluorescence polarization ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  1.60nMAssay Description:Displacement of BODIPY-FL-GD from human KRAS G12D (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  18nMAssay Description:Displacement of BODIPY-FL-GD from human KRAS G12C (Met1 to Lys169 residues) incubated for over 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetGTPase KRas(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50242325(CHEMBL4072295)
Affinity DataKd:  200nMAssay Description:Binding affinity to human wild type N-terminal His/AVi-tagged biotinylated KRas expressed in Escherichia coli BL21 (DE3) in presence of GTP by SPR as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed