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Compile Data Set for Download or QSAR

Found 4 hits of ph data with Target = 'Protein Kinase YpkA'   
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
Protein Kinase YpkA


(Yersinia pestis)
BDBM22042
PNG
((3Z)-5-bromo-3-[3-(3-chlorophenyl)-4-oxo-2-thioxo-...)
Show SMILES Clc1cccc(c1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12
Show InChI InChI=1S/C17H8BrClN2O2S2/c18-8-4-5-12-11(6-8)13(15(22)20-12)14-16(23)21(17(24)25-14)10-3-1-2-9(19)7-10/h1-7H,(H,20,22)/b14-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.81E+3n/an/an/an/a7.522



The Rockefeller University



Assay Description
Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...


J Med Chem 50: 3980-3 (2007)


Article DOI: 10.1021/jm070645a
BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
More data for this
Ligand-Target Pair
Protein Kinase YpkA


(Yersinia pestis)
BDBM22045
PNG
(5-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}met...)
Show SMILES [O-][N+](=O)c1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClN3O5S/c18-10-2-4-11(5-3-10)27-14-6-1-9(8-13(14)21(25)26)7-12-15(22)19-17(24)20-16(12)23/h1-8H,(H2,19,20,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.87E+3n/an/an/an/a7.522



The Rockefeller University



Assay Description
Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...


J Med Chem 50: 3980-3 (2007)


Article DOI: 10.1021/jm070645a
BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
More data for this
Ligand-Target Pair
Protein Kinase YpkA


(Yersinia pestis)
BDBM22044
PNG
((5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]meth...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1
Show InChI InChI=1S/C18H12ClN3O6/c1-2-7-21-17(24)13(16(23)20-18(21)25)9-11-4-6-15(28-11)12-8-10(22(26)27)3-5-14(12)19/h2-6,8-9H,1,7H2,(H,20,23,25)/b13-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.72E+3n/an/an/an/a7.522



The Rockefeller University



Assay Description
Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...


J Med Chem 50: 3980-3 (2007)


Article DOI: 10.1021/jm070645a
BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
More data for this
Ligand-Target Pair
Protein Kinase YpkA


(Yersinia pestis)
BDBM22043
PNG
(N-(3-nitrophenyl)-9,10-dioxo-9,10-dihydroanthracen...)
Show SMILES [O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c1
Show InChI InChI=1S/C20H12N2O6S/c23-19-15-6-1-2-7-16(15)20(24)18-11-14(8-9-17(18)19)29(27,28)21-12-4-3-5-13(10-12)22(25)26/h1-11,21H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.98E+4n/an/an/an/a7.522



The Rockefeller University



Assay Description
Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...


J Med Chem 50: 3980-3 (2007)


Article DOI: 10.1021/jm070645a
BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
More data for this
Ligand-Target Pair