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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6
BDBM50530664

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

Found 2 hits 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
cGMP-dependent protein kinase


(Plasmodium falciparum)
BDBM50530664
PNG
(CHEMBL4548154)
Show SMILES Cc1nc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc(C2CCC2)c1F
Show InChI InChI=1S/C28H28F2N6S/c1-16-24(30)21(17-3-2-4-17)15-23(33-16)35-28-32-14-11-22(34-28)26-25(18-5-7-20(29)8-6-18)36-27(37-26)19-9-12-31-13-10-19/h5-8,11,14-15,17,19,31H,2-4,9-10,12-13H2,1H3,(H,32,33,34,35)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum full length N-terminal His-tagged PKG expressed in Escherichia coli RosettaTM 2(DE3) pLysS cells using FAM-GRTGRR...


J Med Chem 62: 9217-9235 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01099
BindingDB Entry DOI: 10.7270/Q2X63RDP
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Plasmodium falciparum)
BDBM50530664
PNG
(CHEMBL4548154)
Show SMILES Cc1nc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc(C2CCC2)c1F
Show InChI InChI=1S/C28H28F2N6S/c1-16-24(30)21(17-3-2-4-17)15-23(33-16)35-28-32-14-11-22(34-28)26-25(18-5-7-20(29)8-6-18)36-27(37-26)19-9-12-31-13-10-19/h5-8,11,14-15,17,19,31H,2-4,9-10,12-13H2,1H3,(H,32,33,34,35)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum full length N-terminal His-tagged PKG expressed in Escherichia coli RosettaTM 2(DE3) pLysS cells using FAM-GRTGRR...


J Med Chem 62: 9217-9235 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01099
BindingDB Entry DOI: 10.7270/Q2X63RDP
More data for this
Ligand-Target Pair