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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'P-protein'   
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
P-protein


(Escherichia coli (strain K12))
BDBM96194
PNG
(5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxy-benzoic a...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C14H11NO7S/c16-12-6-5-8(7-10(12)14(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,(H,17,18)(H,19,20)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030314
PNG
(CHEMBL3343825)
Show SMILES COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C9H4N2O9S/c1-18-8(12)20-6-3(10(14)15)2-4-7(5(6)11(16)17)21-9(13)19-4/h2H,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030319
PNG
(CHEMBL3343826)
Show SMILES COC(=O)Oc1c(Cl)cc2oc(=O)sc2c1[N+]([O-])=O
Show InChI InChI=1S/C9H4ClNO7S/c1-16-8(12)18-6-3(10)2-4-7(5(6)11(14)15)19-9(13)17-4/h2H,1H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030318
PNG
(CHEMBL3343824)
Show SMILES Oc1c(cc(cc1[N+]([O-])=O)S(=O)(=O)c1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C12H6N4O12S/c17-11-7(13(19)20)1-5(2-8(11)14(21)22)29(27,28)6-3-9(15(23)24)12(18)10(4-6)16(25)26/h1-4,17-18H
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n/an/a 8.20E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030313
PNG
(CHEMBL3343828)
Show SMILES Oc1c(\C=C2\SC(=O)N(C2=O)c2ccccc2)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C16H9N3O7S/c20-14-9(6-11(18(23)24)8-12(14)19(25)26)7-13-15(21)17(16(22)27-13)10-4-2-1-3-5-10/h1-8,20H/b13-7+
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n/an/a 8.50E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030315
PNG
(CHEMBL3343827)
Show SMILES Oc1c(Br)cc2oc(=O)sc2c1Br
Show InChI InChI=1S/C7H2Br2O3S/c8-2-1-3-6(4(9)5(2)10)13-7(11)12-3/h1,10H
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030316
PNG
(CHEMBL3343823)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C14H11NO6S/c16-13(17)9-4-3-5-10(8-9)22(20,21)15-12-7-2-1-6-11(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030317
PNG
(CHEMBL1800324)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)c(c1)C(O)=O
Show InChI InChI=1S/C14H10BrNO6S/c15-11-6-5-8(7-10(11)14(19)20)23(21,22)16-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18)(H,19,20)
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM96194
PNG
(5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxy-benzoic a...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C14H11NO7S/c16-12-6-5-8(7-10(12)14(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,(H,17,18)(H,19,20)
PDB

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PubMed
3.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate


Citation and Details
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM50030314
PNG
(CHEMBL3343825)
Show SMILES COC(=O)Oc1c(cc2oc(=O)sc2c1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C9H4N2O9S/c1-18-8(12)20-6-3(10(14)15)2-4-7(5(6)11(16)17)21-9(13)19-4/h2H,1H3
PDB

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PubMed
4.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate


Citation and Details
More data for this
Ligand-Target Pair