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BDBM50345744 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1241588

SMILES: CC(C)n1nc(-c2ccc3OCCOc3c2)c2c(N)ncnc12

InChI Key: InChIKey=LMVAHLFZGWUGNF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345744   
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
Calmodulin-domain protein kinase 1 (CDPK1)


(Toxoplasma gondii)
BDBM50345744
PNG
(3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1-isopropy...)
Show SMILES CC(C)n1nc(-c2ccc3OCCOc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H17N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-3-4-11-12(7-10)23-6-5-22-11/h3-4,7-9H,5-6H2,1-2H3,(H2,17,18,19)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



University of Washington.

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...


ACS Med Chem Lett 1: 331-335 (2011)


Article DOI: 10.1021/ml100096t
BindingDB Entry DOI: 10.7270/Q2JW8FV5
More data for this
Ligand-Target Pair