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PDB code 3UPX

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
Calmodulin-domain protein kinase 1

  (481/484 > 99%)
(Toxoplasma gondii)
BDBM50383378
PNG
(CHEMBL2030561)
Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
PDB
MMDB

B.MOAD
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1


Bioorg Med Chem Lett 22: 5264-7 (2012)

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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output