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PDB code 4YJN

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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 (CDPK1)

  (481/484 > 99%)
(Toxoplasma gondii)
BDBM50148752
PNG
(CHEMBL3769990 | US9518026, Example 73)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 5.70n/an/an/an/an/an/a



University of Washington Through its Center For Commercialization

US Patent


Assay Description
Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...


US Patent US9518026 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin-domain protein kinase 1 (CDPK1)

  (481/484 > 99%)
(Toxoplasma gondii)
BDBM50148752
PNG
(CHEMBL3769990 | US9518026, Example 73)
Show SMILES CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-21(2,3)26-19(22)17(20(23)27)18(25-26)13-7-9-15-12(11-13)8-10-16(24-15)28-14-5-4-6-14/h7-11,14H,4-6,22H2,1-3H3,(H2,23,27)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii CDPK1 assessed as ATP consumption using (Biotin-C6-PLARTLSVAGLPGKK) as substrate after 90 mins by luciferase reporter...


ACS Med Chem Lett 6: 1184-1189 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00319
BindingDB Entry DOI: 10.7270/Q2NK3GXD
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