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PubChem AID 1261

Compile Data Set for Download or QSAR

Found 450 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42237
PNG
(3'-(1-naphthalenyl)spiro[indene-2,2'-oxirane]-1,3-...)
Show SMILES O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
Show InChI InChI=1S/C20H12O3/c21-17-14-9-3-4-10-15(14)18(22)20(17)19(23-20)16-11-5-7-12-6-1-2-8-13(12)16/h1-11,19H
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42237
PNG
(3'-(1-naphthalenyl)spiro[indene-2,2'-oxirane]-1,3-...)
Show SMILES O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
Show InChI InChI=1S/C20H12O3/c21-17-14-9-3-4-10-15(14)18(22)20(17)19(23-20)16-11-5-7-12-6-1-2-8-13(12)16/h1-11,19H
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42237
PNG
(3'-(1-naphthalenyl)spiro[indene-2,2'-oxirane]-1,3-...)
Show SMILES O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
Show InChI InChI=1S/C20H12O3/c21-17-14-9-3-4-10-15(14)18(22)20(17)19(23-20)16-11-5-7-12-6-1-2-8-13(12)16/h1-11,19H
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42226
PNG
(3-(1H-perimidin-2-yl)aniline | MLS000577702 | SMR0...)
Show SMILES Nc1cccc(c1)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C17H13N3/c18-13-7-1-6-12(10-13)17-19-14-8-2-4-11-5-3-9-15(20-17)16(11)14/h1-10H,18H2,(H,19,20)
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n/an/a 2.11E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42226
PNG
(3-(1H-perimidin-2-yl)aniline | MLS000577702 | SMR0...)
Show SMILES Nc1cccc(c1)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C17H13N3/c18-13-7-1-6-12(10-13)17-19-14-8-2-4-11-5-3-9-15(20-17)16(11)14/h1-10H,18H2,(H,19,20)
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n/an/a 2.59E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42226
PNG
(3-(1H-perimidin-2-yl)aniline | MLS000577702 | SMR0...)
Show SMILES Nc1cccc(c1)-c1nc2cccc3cccc([nH]1)c23
Show InChI InChI=1S/C17H13N3/c18-13-7-1-6-12(10-13)17-19-14-8-2-4-11-5-3-9-15(20-17)16(11)14/h1-10H,18H2,(H,19,20)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42257
PNG
(3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27?,33-,34+,35+,41+/m1/s1
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n/an/a 3.13E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42257
PNG
(3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27?,33-,34+,35+,41+/m1/s1
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n/an/a 3.73E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42257
PNG
(3,4,5-trihydroxybenzoic acid [(3R,4S,5S,6S)-3,4,5,...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27?,33-,34+,35+,41+/m1/s1
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n/an/a 4.12E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42199
PNG
((4-methoxyphenyl)-[5-[(4-methoxyphenyl)iminomethyl...)
Show SMILES COc1ccc(NC2=C(CCc3c2c(C)nn3-c2ccccn2)C=Nc2ccc(OC)cc2)cc1 |w:24.27,t:7|
Show InChI InChI=1S/C28H27N5O2/c1-19-27-25(33(32-19)26-6-4-5-17-29-26)16-7-20(18-30-21-8-12-23(34-2)13-9-21)28(27)31-22-10-14-24(35-3)15-11-22/h4-6,8-15,17-18,31H,7,16H2,1-3H3
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n/an/a 4.13E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42251
PNG
((4E)-2-benzyl-4-(ethoxymethylene)isoquinoline-1,3-...)
Show SMILES CCO\C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3/c1-2-23-13-17-15-10-6-7-11-16(15)18(21)20(19(17)22)12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3/b17-13+
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n/an/a 4.13E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42201
PNG
(7-aminoheptyl-(6-methoxy-8-quinolyl)amine;succinic...)
Show SMILES COc1cc(NCCCCCCCN)c2ncccc2c1
Show InChI InChI=1S/C17H25N3O/c1-21-15-12-14-8-7-11-20-17(14)16(13-15)19-10-6-4-2-3-5-9-18/h7-8,11-13,19H,2-6,9-10,18H2,1H3
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n/an/a 4.17E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42251
PNG
((4E)-2-benzyl-4-(ethoxymethylene)isoquinoline-1,3-...)
Show SMILES CCO\C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3/c1-2-23-13-17-15-10-6-7-11-16(15)18(21)20(19(17)22)12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3/b17-13+
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n/an/a 4.36E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42228
PNG
(1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimida...)
Show SMILES CN1c2ccccc2N(C)C1(C)c1ccccc1
Show InChI InChI=1S/C16H18N2/c1-16(13-9-5-4-6-10-13)17(2)14-11-7-8-12-15(14)18(16)3/h4-12H,1-3H3
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n/an/a 4.43E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42201
PNG
(7-aminoheptyl-(6-methoxy-8-quinolyl)amine;succinic...)
Show SMILES COc1cc(NCCCCCCCN)c2ncccc2c1
Show InChI InChI=1S/C17H25N3O/c1-21-15-12-14-8-7-11-20-17(14)16(13-15)19-10-6-4-2-3-5-9-18/h7-8,11-13,19H,2-6,9-10,18H2,1H3
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n/an/a 4.45E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42199
PNG
((4-methoxyphenyl)-[5-[(4-methoxyphenyl)iminomethyl...)
Show SMILES COc1ccc(NC2=C(CCc3c2c(C)nn3-c2ccccn2)C=Nc2ccc(OC)cc2)cc1 |w:24.27,t:7|
Show InChI InChI=1S/C28H27N5O2/c1-19-27-25(33(32-19)26-6-4-5-17-29-26)16-7-20(18-30-21-8-12-23(34-2)13-9-21)28(27)31-22-10-14-24(35-3)15-11-22/h4-6,8-15,17-18,31H,7,16H2,1-3H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42251
PNG
((4E)-2-benzyl-4-(ethoxymethylene)isoquinoline-1,3-...)
Show SMILES CCO\C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3/c1-2-23-13-17-15-10-6-7-11-16(15)18(21)20(19(17)22)12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3/b17-13+
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42248
PNG
(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Show SMILES O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
Show InChI InChI=1S/C22H20N2O4/c25-16-8-9-19(26)18(13-16)17-7-4-11-24-20(27)14-23(22(28)21(17)24)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2
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n/an/a 4.54E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42201
PNG
(7-aminoheptyl-(6-methoxy-8-quinolyl)amine;succinic...)
Show SMILES COc1cc(NCCCCCCCN)c2ncccc2c1
Show InChI InChI=1S/C17H25N3O/c1-21-15-12-14-8-7-11-20-17(14)16(13-15)19-10-6-4-2-3-5-9-18/h7-8,11-13,19H,2-6,9-10,18H2,1H3
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n/an/a 4.65E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM34775
PNG
(1-Ethyl-2,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo...)
Show SMILES CCN1c2ccccc2N(C)C1(C)c1ccccc1
Show InChI InChI=1S/C17H20N2/c1-4-19-16-13-9-8-12-15(16)18(3)17(19,2)14-10-6-5-7-11-14/h5-13H,4H2,1-3H3
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n/an/a 4.69E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42151
PNG
((5aR,9aS)-10-oxidanidyl-5-oxidanylidene-5a,6,7,8,9...)
Show SMILES [O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
Show InChI InChI=1S/C15H14N2O3/c18-15-10-6-2-1-5-9(10)13-14(15)17(20)12-8-4-3-7-11(12)16(13)19/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12+/m1/s1
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n/an/a 4.72E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42151
PNG
((5aR,9aS)-10-oxidanidyl-5-oxidanylidene-5a,6,7,8,9...)
Show SMILES [O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
Show InChI InChI=1S/C15H14N2O3/c18-15-10-6-2-1-5-9(10)13-14(15)17(20)12-8-4-3-7-11(12)16(13)19/h1-2,5-6,11-12H,3-4,7-8H2/t11-,12+/m1/s1
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n/an/a 4.81E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2C24TVC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42227
PNG
(2-(2-Methoxy-phenylamino)-3-piperidin-1-yl-[1,4]na...)
Show SMILES COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O |c:10|
Show InChI InChI=1S/C22H22N2O3/c1-27-18-12-6-5-11-17(18)23-19-20(24-13-7-2-8-14-24)22(26)16-10-4-3-9-15(16)21(19)25/h3-6,9-12,23H,2,7-8,13-14H2,1H3
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n/an/a 4.86E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42129
PNG
(3a,8b-Dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydr...)
Show SMILES CC1=NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OCC=C |t:1|
Show InChI InChI=1S/C16H15NO5/c1-3-8-22-14(19)12-9(2)17-16(21)11-7-5-4-6-10(11)13(18)15(12,16)20/h3-7,12,20-21H,1,8H2,2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42143
PNG
(MLS000081881 | N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tet...)
Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1
Show InChI InChI=1S/C22H23N5OS/c28-22(19-9-6-12-29-19)24-18(13-15-14-23-17-8-4-3-7-16(15)17)21-26-25-20-10-2-1-5-11-27(20)21/h3-4,6-9,12,14,18,23H,1-2,5,10-11,13H2,(H,24,28)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42170
PNG
(2-(4-tert-butylphenoxy)-N-(1,1-diketothiolan-3-yl)...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H25NO4S/c1-17(2,3)13-5-7-15(8-6-13)22-11-16(19)18(4)14-9-10-23(20,21)12-14/h5-8,14H,9-12H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42178
PNG
(7-(4-fluorobenzyl)-3-methyl-8-(propylamino)xanthin...)
Show SMILES CCCNc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H18FN5O2/c1-3-8-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-4-6-11(17)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,18,19)(H,20,23,24)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42189
PNG
(1-(3-Chloro-4-methyl-benzenesulfonyl)-piperidine-3...)
Show SMILES Cc1ccc(cc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccco1
Show InChI InChI=1S/C18H21ClN2O4S/c1-13-6-7-16(10-17(13)19)26(23,24)21-8-2-4-14(12-21)18(22)20-11-15-5-3-9-25-15/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42211
PNG
(5-(4-nitrophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1csc2SCC[n+]12
Show InChI InChI=1S/C11H9N2O2S2/c14-13(15)9-3-1-8(2-4-9)10-7-17-11-12(10)5-6-16-11/h1-4,7H,5-6H2/q+1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42212
PNG
(MLS000519202 | SMR000129621 | cid_9551277)
Show SMILES [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1nnc(s1)C(F)(F)F |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
Show InChI InChI=1S/C19H13F3N4O3S/c20-19(21,22)17-24-25-18(30-17)23-14(27)8-3-5-11(6-4-8)26-15(28)12-9-1-2-10(7-9)13(12)16(26)29/h1-6,9-10,12-13H,7H2,(H,23,25,27)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42220
PNG
(1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbo...)
Show SMILES CCOC(=O)c1nc(C)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClN3O2/c1-3-18-12(17)11-14-8(2)16(15-11)10-6-4-9(13)5-7-10/h4-7H,3H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42221
PNG
(2-({4-[3-(4-hydroxyphenyl)acryloyl]phenyl}amino)-3...)
Show SMILES Oc1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 |w:6.6,c:14|
Show InChI InChI=1S/C30H26N2O4/c33-23-15-8-20(9-16-23)10-17-26(34)21-11-13-22(14-12-21)31-27-28(32-18-4-1-5-19-32)30(36)25-7-3-2-6-24(25)29(27)35/h2-3,6-17,31,33H,1,4-5,18-19H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42223
PNG
(2-(3-hydroxyanilino)-3-(1-piperidinyl)naphthalene-...)
Show SMILES Oc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 |c:7|
Show InChI InChI=1S/C21H20N2O3/c24-15-8-6-7-14(13-15)22-18-19(23-11-4-1-5-12-23)21(26)17-10-3-2-9-16(17)20(18)25/h2-3,6-10,13,22,24H,1,4-5,11-12H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM33725
PNG
((5Z)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyra...)
Show SMILES CC(=O)N1C(=O)C(=C2SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc12 |w:6.30|
Show InChI InChI=1S/C24H18N4O4S2/c1-13-19(22(31)28(25(13)3)15-9-5-4-6-10-15)27-23(32)20(34-24(27)33)18-16-11-7-8-12-17(16)26(14(2)29)21(18)30/h4-12H,1-3H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42231
PNG
(MLS000584232 | N-[(2-hydroxy-2-isoamyl-5-methyl-he...)
Show SMILES COC(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1
Show InChI InChI=1S/C20H32N2O4/c1-15(2)11-13-20(25,14-12-16(3)4)18(23)21-22(19(24)26-5)17-9-7-6-8-10-17/h6-10,15-16,25H,11-14H2,1-5H3,(H,21,23)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42240
PNG
(4-[1-(4-chlorophenyl)-2-nitro-ethyl]-5-methyl-2-ph...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H16ClN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42247
PNG
(2-(1,3-benzothiazol-2-yl)-2-[1-(2,4-difluorophenyl...)
Show SMILES [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1F)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
Show InChI InChI=1S/C22H15F2N3S/c1-13-9-15(10-14(2)27(13)20-8-7-16(23)11-18(20)24)17(12-25)22-26-19-5-3-4-6-21(19)28-22/h3-11H,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2794330
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM32042
PNG
((4E)-3-hydroxy-4-[(6-quinolinylamino)methylidene]-...)
Show SMILES Oc1ccc(C=Nc2ccc3ncccc3c2)c(O)c1 |w:6.6|
Show InChI InChI=1S/C16H12N2O2/c19-14-5-3-12(16(20)9-14)10-18-13-4-6-15-11(8-13)2-1-7-17-15/h1-10,19-20H
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42157
PNG
(4-[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]piperaz...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)Cn1c(C)cc2ccccc2c1=O
Show InChI InChI=1S/C19H23N3O4/c1-3-26-19(25)21-10-8-20(9-11-21)17(23)13-22-14(2)12-15-6-4-5-7-16(15)18(22)24/h4-7,12H,3,8-11,13H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42166
PNG
(2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(1,2...)
Show SMILES O=C(CSc1nnc(o1)-c1ccccc1)n1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C22H19N3O2S/c26-20(14-28-22-24-23-21(27-22)15-8-2-1-3-9-15)25-18-12-6-4-10-16(18)17-11-5-7-13-19(17)25/h1-4,6,8-10,12H,5,7,11,13-14H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42167
PNG
(1-(4-methyl-1,3-thiazol-2-yl)indoline | 2-(2,3-dih...)
Show SMILES Cc1csc(n1)N1CCc2ccccc12
Show InChI InChI=1S/C12H12N2S/c1-9-8-15-12(13-9)14-7-6-10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42170
PNG
(2-(4-tert-butylphenoxy)-N-(1,1-diketothiolan-3-yl)...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H25NO4S/c1-17(2,3)13-5-7-15(8-6-13)22-11-16(19)18(4)14-9-10-23(20,21)12-14/h5-8,14H,9-12H2,1-4H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42173
PNG
(MLS000088338 | N,N'-bis(3-methoxypropyl)pentan...)
Show SMILES COCCCNC(=O)CCCC(=O)NCCCOC
Show InChI InChI=1S/C13H26N2O4/c1-18-10-4-8-14-12(16)6-3-7-13(17)15-9-5-11-19-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42175
PNG
(7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyr...)
Show SMILES COc1ccccc1-c1c(C)nn2c(cc(C)nc12)N1CCCCCC1 |(5.45,-5.09,;6.48,-3.94,;7.99,-4.26,;8.47,-5.72,;9.97,-6.04,;11,-4.9,;10.52,-3.43,;9.02,-3.11,;8.54,-1.65,;9.44,-.41,;10.98,-.41,;8.54,.83,;7.08,.36,;5.75,1.13,;4.41,.36,;4.41,-1.18,;3.08,-1.95,;5.75,-1.95,;7.08,-1.18,;5.75,2.67,;7.13,3.34,;7.48,4.84,;6.52,6.04,;4.98,6.04,;4.02,4.84,;4.36,3.34,)|
Show InChI InChI=1S/C21H26N4O/c1-15-14-19(24-12-8-4-5-9-13-24)25-21(22-15)20(16(2)23-25)17-10-6-7-11-18(17)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42179
PNG
(MLS000110834 | SMR000106763 | carbonic acid ethyl ...)
Show SMILES CCOC(=O)Oc1ccc2oc(=O)cc(C)c2c1
Show InChI InChI=1S/C13H12O5/c1-3-16-13(15)17-9-4-5-11-10(7-9)8(2)6-12(14)18-11/h4-7H,3H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42193
PNG
((4-ethoxy-3-methoxy-phenyl)-morpholin-4-yl-methane...)
Show SMILES CCOc1ccc(cc1OC)C(=S)N1CCOCC1
Show InChI InChI=1S/C14H19NO3S/c1-3-18-12-5-4-11(10-13(12)16-2)14(19)15-6-8-17-9-7-15/h4-5,10H,3,6-9H2,1-2H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42202
PNG
(2-tert-butyl-N-(4-methylphenyl)-4-pyridinecarboxam...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C)cc1
Show InChI InChI=1S/C17H20N2O/c1-12-5-7-14(8-6-12)19-16(20)13-9-10-18-15(11-13)17(2,3)4/h5-11H,1-4H3,(H,19,20)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42205
PNG
(5-[(E)-2-(4-chloroanilino)ethenyl]-3-(methylthio)-...)
Show SMILES CSc1nsc(CC=Nc2ccc(Cl)cc2)c1C#N |w:8.8|
Show InChI InChI=1S/C13H10ClN3S2/c1-18-13-11(8-15)12(19-17-13)6-7-16-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM42206
PNG
(4-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-6-hyd...)
Show SMILES Oc1cc2c(CN3CCN(CC3)c3ccccc3F)cc(=O)oc2cc1-c1ccccc1
Show InChI InChI=1S/C26H23FN2O3/c27-22-8-4-5-9-23(22)29-12-10-28(11-13-29)17-19-14-26(31)32-25-16-20(24(30)15-21(19)25)18-6-2-1-3-7-18/h1-9,14-16,30H,10-13,17H2
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)		BDBM55
PNG
(6-(5,6-dihydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-...)
Show SMILES OC1C(Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)OC(C(O)C1O)C(O)=O
Show InChI InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)
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University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GT5KKS
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%