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BDBM32643 amino pyrimidine ketone, 3

SMILES: CC1(C)CC(=O)c2c(N)ncnc2C1

InChI Key: InChIKey=DYPFWRCGECJCBK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32643   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Biotin Carboxylase


(Escherichia coli (strain K12))
BDBM32643
PNG
(amino pyrimidine ketone, 3)
Show SMILES CC1(C)CC(=O)c2c(N)ncnc2C1
Show InChI InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
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MMDB

KEGG

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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 6.08E+4n/an/an/an/a8.023



Pfizer



Assay Description
Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...


ACS Chem Biol 4: 473-83 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)