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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 293.3
BDBM50321309
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium-dependent protein kinase 1


(Plasmodium Falciparum)
BDBM50321309
PNG
(CHEMBL4165173)
Show SMILES Cc1ccc(cc1)C(=O)c1c(N)c(C(N)=O)c2ccccn12
Show InChI InChI=1S/C17H15N3O2/c1-10-5-7-11(8-6-10)16(21)15-14(18)13(17(19)22)12-4-2-3-9-20(12)15/h2-9H,18H2,1H3,(H2,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
262n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant CDPK1 expressed in Escherichia coli expression system after 1 hr in presence of [gamma33P]ATP by scin...


J Med Chem 61: 8061-8077 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00329
BindingDB Entry DOI: 10.7270/Q24170NC
More data for this
Ligand-Target Pair