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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'PhoP' AND taxid = 59201   
Target
(Institution)
LigandTarget
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
PhoP


(Salmonella enterica)
BDBM92340
PNG
(NSC48630, 3)
Show SMILES CN(C)CCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C24H39NO3/c1-22-11-7-17(26)15-16(22)5-6-18-19(22)8-12-23(2)20(18)9-13-24(23,28)21(27)10-14-25(3)4/h5,17-20,26,28H,6-15H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair
PhoP


(Salmonella enterica)
BDBM50326557
PNG
((E)-5-((2-hydroxynaphthalen-1-yl)diazenyl)naphthal...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair
PhoP


(Salmonella enterica)
BDBM92343
PNG
(NSC88915, 6)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COS(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair
PhoP


(Salmonella enterica)
BDBM92342
PNG
(NSC65238, 5)
Show SMILES CC(C)c1ccc2c(CCC3C(C)(CN)CCCC23C)c1
Show InChI InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair
PhoP


(Salmonella enterica)
BDBM92344
PNG
(NSC118806, 7)
Show SMILES C(c1ccccc1)[n+]1cccc(c1)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H17N2/c1-2-7-16(8-3-1)14-22-12-6-10-18(15-22)20-13-17-9-4-5-11-19(17)21-20/h1-13,15,21H,14H2/q+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.09E+5n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair
PhoP


(Salmonella enterica)
BDBM92345
PNG
(NSC168197, 8)
Show SMILES NC(N)=Nc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C15H12N4O2/c16-9-10-1-7-13(8-2-10)21-14(20)11-3-5-12(6-4-11)19-15(17)18/h1-8H,(H4,17,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.85E+5n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair
PhoP


(Salmonella enterica)
BDBM92339
PNG
(NSC9608, 1)
Show SMILES OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1-c1cccc2ccccc12
Show InChI InChI=1S/C25H14O4/c26-23-17-9-3-4-10-18(17)24(27)22-19(23)12-13-20(25(28)29)21(22)16-11-5-7-14-6-1-2-8-15(14)16/h1-13H,(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.10E+7n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair
PhoP


(Salmonella enterica)
BDBM92341
PNG
(NSC35489, 4)
Show SMILES O=C(C[n+]1ccc2ccccc2c1)c1ccc2ccc3ccccc3c2c1
Show InChI InChI=1S/C25H18NO/c27-25(17-26-14-13-18-5-1-2-7-22(18)16-26)21-12-11-20-10-9-19-6-3-4-8-23(19)24(20)15-21/h1-16H,17H2/q+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.40E+7n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
Inhibition of a protein-protein activity by EMSA assay.


Chem Biol Drug Des 79: 1007-17 (2012)

More data for this
Ligand-Target Pair