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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P9WNG2   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-ketoacyl-ACP synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM68278
PNG
(Decyl-CoA disulfide 5)
Show SMILES CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C30H54N7O16P3S2/c1-4-5-6-7-8-9-10-11-15-57-58-16-14-32-21(38)12-13-33-28(41)25(40)30(2,3)52-56(47,48)53-55(45,46)49-17-20-24(51-54(42,43)44)23(39)29(50-20)37-19-36-22-26(31)34-18-35-27(22)37/h18-20,23-25,29,39-40H,4-17H2,1-3H3,(H,32,38)(H,33,41)(H,45,46)(H,47,48)(H2,31,34,35)(H2,42,43,44)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.037



Portland State University



Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...


Chem Biol 14: 513-24 (2007)


Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM68277
PNG
(Octyl-CoA disulfide 4)
Show SMILES CCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C28H50N7O16P3S2/c1-4-5-6-7-8-9-13-55-56-14-12-30-19(36)10-11-31-26(39)23(38)28(2,3)50-54(45,46)51-53(43,44)47-15-18-22(49-52(40,41)42)21(37)27(48-18)35-17-34-20-24(29)32-16-33-25(20)35/h16-18,21-23,27,37-38H,4-15H2,1-3H3,(H,30,36)(H,31,39)(H,43,44)(H,45,46)(H2,29,32,33)(H2,40,41,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.01E+4n/an/an/an/a7.037



Portland State University



Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...


Chem Biol 14: 513-24 (2007)


Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM68274
PNG
(Butyl-CoA disulfide 2)
Show SMILES CCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C24H42N7O16P3S2/c1-4-5-9-51-52-10-8-26-15(32)6-7-27-22(35)19(34)24(2,3)46-50(41,42)47-49(39,40)43-11-14-18(45-48(36,37)38)17(33)23(44-14)31-13-30-16-20(25)28-12-29-21(16)31/h12-14,17-19,23,33-34H,4-11H2,1-3H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/a7.037



Portland State University



Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...


Chem Biol 14: 513-24 (2007)


Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM68275
PNG
(Methyl-CoA disulfide 1)
Show SMILES CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-5-4-12(29)23-6-7-49-48-3)43-47(38,39)44-46(36,37)40-8-11-15(42-45(33,34)35)14(30)20(41-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/a7.037



Portland State University



Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...


Chem Biol 14: 513-24 (2007)


Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM68276
PNG
(Sec-butyl-CoA disulfide 3)
Show SMILES CCC(C)SSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C24H42N7O16P3S2/c1-5-13(2)52-51-9-8-26-15(32)6-7-27-22(35)19(34)24(3,4)46-50(41,42)47-49(39,40)43-10-14-18(45-48(36,37)38)17(33)23(44-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-14,17-19,23,33-34H,5-10H2,1-4H3,(H,26,32)(H,27,35)(H,39,40)(H,41,42)(H2,25,28,29)(H2,36,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/a7.037



Portland State University



Assay Description
Escherichia coli FabH assays were carried out using standard coupled trichloroacetic acid precipitation assay to determine the rate formation of radi...


Chem Biol 14: 513-24 (2007)


Article DOI: 10.1016/j.chembiol.2007.03.013
BindingDB Entry DOI: 10.7270/Q2WW7G3F
More data for this
Ligand-Target Pair