BDBM418018 US10457669, Example 697::US11001575, Example 697

SMILES COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N1Cc2ccc(cc2C1=O)-c1nc(Nc2cnn(C)n2)ncc1Cl

InChI Key InChIKey=VXELOHCKXQHQRO-JLCFBVMHSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 418018   

TargetMitogen-activated protein kinase 1(Human)
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM418018(US10457669, Example 697 | US11001575, Example 697)
Affinity DataIC50:  2nMAssay Description:Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetMitogen-activated protein kinase 1(Human)
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM418018(US10457669, Example 697 | US11001575, Example 697)
Affinity DataIC50:  2nMAssay Description:Inhibition of full-length human N-terminal MAHHHHHH tagged-ERK2 expressed in Escherichia coli BL21 (DE3) using ATF2-GFP as substrate incubated for 30...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetMitogen-activated protein kinase 1(Human)
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM418018(US10457669, Example 697 | US11001575, Example 697)
Affinity DataIC50:  4.10nMAssay Description:Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)

TargetMitogen-activated protein kinase 1(Human)
Otsuka Pharmaceutical

US Patent
LigandPNGBDBM418018(US10457669, Example 697 | US11001575, Example 697)
Affinity DataIC50:  2nMAssay Description:Activity of ERK2 enzyme (Life Technologies) was determined using a time-resolved fluorescence format measuring the phosphorylation of a truncated ver...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
PDB3D3D Structure (crystal)