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BDBM50334883 3-ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine::CHEMBL1643241

SMILES: CCc1cnn2c(N)cc(nc12)C1CCCNC1

InChI Key: InChIKey=WBFNTXRPIPRJPF-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50334883   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50334883
PNG
(3-ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES CCc1cnn2c(N)cc(nc12)C1CCCNC1
Show InChI InChI=1S/C13H19N5/c1-2-9-8-16-18-12(14)6-11(17-13(9)18)10-4-3-5-15-7-10/h6,8,10,15H,2-5,7,14H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-CHK1 expressed in baculovirus after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 21: 467-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.113
BindingDB Entry DOI: 10.7270/Q2J966MH
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50334883
PNG
(3-ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES CCc1cnn2c(N)cc(nc12)C1CCCNC1
Show InChI InChI=1S/C13H19N5/c1-2-9-8-16-18-12(14)6-11(17-13(9)18)10-4-3-5-15-7-10/h6,8,10,15H,2-5,7,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 21: 467-70 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.113
BindingDB Entry DOI: 10.7270/Q2J966MH
More data for this
Ligand-Target Pair