Brief Information of the Compound and Protein
Compound Name
2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
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PubChem ID
CID: 53315878
Canonical SMILES
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
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Compound Formula C29H44F2N6O2
Compound Structure
Protein Name
Histone-lysine N-methyltransferase EHMT2
Protein Classification
Epigenetic regulator
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Protein methyltransferase
Uniprot ID
Q96KQ7
Gene Name
EHMT2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
IC50 = 110 nM
   TI
   LI
   LO
   TS
CL000206 PANC-1 Homo sapiens (Human)  1
1
IC50 = 40 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 < 2.5 nM
2 IC50 = 220 nM
3 Kd = 230 nM
4 Ki = 3.7 nM