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Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'hPKG II 41−418'   
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
hPKG II 41−418


(Homo sapiens (Human))
BDBM65501
PNG
(8-pCP-cGMP | Cyclic GMP analogs | cGMP)
Show SMILES Nc1nc(=O)c2nc(Sc3ccc(Cl)cc3)n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c2[nH]1
Show InChI InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 96n/an/a7.0n/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG II 41−418


(Homo sapiens (Human))
BDBM65505
PNG
(PET-cGMP)
Show SMILES O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
Show InChI InChI=1S/C18H16N5O7P/c24-13-14-11(7-28-31(26,27)30-14)29-17(13)23-8-19-12-15(23)21-18-20-10(6-22(18)16(12)25)9-4-2-1-3-5-9/h1-6,8,11,13-14,17,24H,7H2,(H,20,21)(H,26,27)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 193n/an/a7.0n/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG II 41−418


(Homo sapiens (Human))
BDBM65501
PNG
(8-pCP-cGMP | Cyclic GMP analogs | cGMP)
Show SMILES Nc1nc(=O)c2nc(Sc3ccc(Cl)cc3)n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c2[nH]1
Show InChI InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5n/an/a7.0n/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair
hPKG II 41−418


(Homo sapiens (Human))
BDBM65502
PNG
(2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydrox...)
Show SMILES Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/a7.0n/a



Baylor College of Medicine



Assay Description
Kinase activity was determined employing a microfluidic mobility-shift assay on a Caliper DeskTop Profiler (Caliper Life Sciences, PerkinElmer). The ...


ACS Chem Biol 12: 2388-2398 (2017)


Article DOI: 10.1021/acschembio.7b00369
BindingDB Entry DOI: 10.7270/Q2930RB1
More data for this
Ligand-Target Pair