Brief Information of the Compound and Protein
Compound Name
(1S,2S,3R,4R)-3-[[5-chloro-2-[[(7S)-4-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
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PubChem ID
CID: 57325421
SID: 136327361
Canonical SMILES
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1
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Compound Formula C28H35ClN6O3
Compound Structure
Protein Name
Focal adhesion kinase 1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Fak family
Uniprot ID
Q05397
Gene Name
PTK2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000380 HCC827 Homo sapiens (Human)  1
1
IC50 = 944 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 133 nM