Brief Information of the Compound and Protein
Compound Name
US10525036, Example GDC-0994
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PubChem ID
CID: 71727581
Canonical SMILES
Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
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Compound Formula C21H18ClFN6O2
Compound Structure
Protein Name
Mitogen-activated protein kinase 1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
CMGC protein kinase group
>
CMGC protein kinase MAPK family
>
CMGC protein kinase ERK subfamily
Uniprot ID
P28482
Gene Name
MAPK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000045 A-375 Homo sapiens (Human)  2
1
IC50 = 86 nM
   TI
   LI
   LO
   TS
2
IC50 = 140 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.3 nM
2 IC50 = 3.1 nM
3 IC50 = 3.3 nM
4 Kd = 1.585 nM