BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 150 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4001   
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)
BDBM42127
PNG
(1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperid...)
Show SMILES COCCCNC(=O)C1CCCN(C1)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C18H27N3O4/c1-24-12-4-10-19-17(22)14-5-3-11-21(13-14)18(23)20-15-6-8-16(25-2)9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42128
PNG
(4-(4-Fluoro-benzoyl)-piperidine-1-carboxylic acid ...)
Show SMILES COc1ccccc1NC(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O3/c1-26-18-5-3-2-4-17(18)22-20(25)23-12-10-15(11-13-23)19(24)14-6-8-16(21)9-7-14/h2-9,15H,10-13H2,1H3,(H,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42130
PNG
(3a,8b-Dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydr...)
Show SMILES CCCCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:9|
Show InChI InChI=1S/C17H19NO5/c1-3-4-9-23-15(20)13-10(2)18-17(22)12-8-6-5-7-11(12)14(19)16(13,17)21/h5-8,13,21-22H,3-4,9H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42131
PNG
(CEFACLOR | MLS000069617 | SMR000058250 | cid_51039)
Show SMILES N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50006811
PNG
(2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...)
Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O |w:8.8|
Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42133
PNG
(2-(4-methoxyphenyl)benzotriazole | MLS000079058 | ...)
Show SMILES COc1ccc(cc1)-n1nc2ccccc2n1
Show InChI InChI=1S/C13H11N3O/c1-17-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)15-16/h2-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42134
PNG
(6-(1-oxopropyl)-7H-benzo[d][2]benzazepin-5-one | 6...)
Show SMILES CCC(=O)N1Cc2ccccc2-c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO2/c1-2-16(19)18-11-12-7-3-4-8-13(12)14-9-5-6-10-15(14)17(18)20/h3-10H,2,11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42135
PNG
(MLS000037718 | N-[2-(2-amino-3-cyano-1-pyrrolo[3,2...)
Show SMILES Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)c1cccs1
Show InChI InChI=1S/C18H14N6OS/c19-10-11-15-17(23-13-5-2-1-4-12(13)22-15)24(16(11)20)8-7-21-18(25)14-6-3-9-26-14/h1-6,9H,7-8,20H2,(H,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42136
PNG
(MLS000038718 | SMR000041127 | cid_660152)
Show SMILES [H][C@]12[C@@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1cccc(Cl)c1)C(C)=O |c:4|
Show InChI InChI=1S/C22H17ClN2O3/c1-12(26)19-17-18(20-16-8-3-2-5-13(16)9-10-24(19)20)22(28)25(21(17)27)15-7-4-6-14(23)11-15/h2-11,17-20H,1H3/t17-,18+,19+,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42138
PNG
(2-hydroxy-1-isobutyl-4-keto-N-(4-keto-2-methyl-qui...)
Show SMILES CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c1=O
Show InChI InChI=1S/C23H26N4O4/c1-13(2)12-26-18-11-7-5-9-16(18)20(28)19(23(26)31)21(29)25-27-14(3)24-17-10-6-4-8-15(17)22(27)30/h4,6,8,10,13,28H,5,7,9,11-12H2,1-3H3,(H,25,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42139
PNG
(4-ethyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazo...)
Show SMILES CCn1c(n[nH]c1=S)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17N3O3S/c1-5-16-12(14-15-13(16)20)8-6-9(17-2)11(19-4)10(7-8)18-3/h6-7H,5H2,1-4H3,(H,15,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM39592
PNG
(MLS000078483 | N-(2-furanylmethyl)-2-(6-methoxy-2-...)
Show SMILES COc1ccc2n(CC(=O)NCc3ccco3)c(C)cc(=O)c2c1
Show InChI InChI=1S/C18H18N2O4/c1-12-8-17(21)15-9-13(23-2)5-6-16(15)20(12)11-18(22)19-10-14-4-3-7-24-14/h3-9H,10-11H2,1-2H3,(H,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42140
PNG
(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine | 5,...)
Show SMILES Nc1nnc2CCCCc2n1
Show InChI InChI=1S/C7H10N4/c8-7-9-5-3-1-2-4-6(5)10-11-7/h1-4H2,(H2,8,9,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42141
PNG
(MLS000081363 | SMR000045038 | cid_664220)
Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1C)C(=O)c1ccco1 |c:4|
Show InChI InChI=1S/C27H22N2O4/c1-15-9-10-19(16(2)14-15)29-26(31)21-22(27(29)32)24(25(30)20-8-5-13-33-20)28-12-11-17-6-3-4-7-18(17)23(21)28/h3-14,21-24H,1-2H3/t21-,22+,23?,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42142
PNG
(MLS000081362 | SMR000045431 | cid_664517)
Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4|
Show InChI InChI=1S/C26H20N2O4/c1-15-8-10-17(11-9-15)28-25(30)20-21(26(28)31)23(24(29)19-7-4-14-32-19)27-13-12-16-5-2-3-6-18(16)22(20)27/h2-14,20-23H,1H3/t20-,21+,22?,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42144
PNG
(5-bromo-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]m...)
Show SMILES CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc(C)s1
Show InChI InChI=1S/C15H13BrN2O3S2/c1-3-20-14(19)13-11(7-22-15-18-17-8(2)23-15)10-6-9(16)4-5-12(10)21-13/h4-6H,3,7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42145
PNG
(5-(4-hydroxy-3-methoxy-phenyl)-2,4-diketo-7-methyl...)
Show SMILES COc1cc(ccc1O)C1C(C(=O)OC(C)C)C(C)=Nc2[nH]c(=O)[nH]c(=O)c12 |c:19|
Show InChI InChI=1S/C19H21N3O6/c1-8(2)28-18(25)13-9(3)20-16-15(17(24)22-19(26)21-16)14(13)10-5-6-11(23)12(7-10)27-4/h5-8,13-14,23H,1-4H3,(H2,21,22,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM30834
PNG
(6-amino-1-benzyl-5-[(2-fluorobenzyl)amino]pyrimidi...)
Show SMILES Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C18H17FN4O2/c19-14-9-5-4-8-13(14)10-21-15-16(20)23(18(25)22-17(15)24)11-12-6-2-1-3-7-12/h1-9,21H,10-11,20H2,(H,22,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42146
PNG
(3-(2-{[3-(diethylamino)propyl]amino}-2-oxoethyl)-1...)
Show SMILES CCN(CC)CCCNC(=O)Cc1c(C(O)=O)n(C)c2ccccc12
Show InChI InChI=1S/C19H27N3O3/c1-4-22(5-2)12-8-11-20-17(23)13-15-14-9-6-7-10-16(14)21(3)18(15)19(24)25/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,20,23)(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42147
PNG
(4-[2-[4-(2-furoyl)piperazino]acetyl]-9-hydroxy-2,3...)
Show SMILES Oc1ccc2oc(=O)c3N(CCCc3c2c1)C(=O)CN1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C23H23N3O6/c27-15-5-6-18-17(13-15)16-3-1-7-26(21(16)23(30)32-18)20(28)14-24-8-10-25(11-9-24)22(29)19-4-2-12-31-19/h2,4-6,12-13,27H,1,3,7-11,14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42148
PNG
((4Z)-2-methyl-5-oxo-4-[(2-pyridinylmethylamino)met...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(C=NCc1ccccn1)c(O)c1ccccc21 |w:13.14|
Show InChI InChI=1S/C23H20N2O4/c1-3-28-23(27)19-14(2)29-22-17-10-5-4-9-16(17)21(26)18(20(19)22)13-24-12-15-8-6-7-11-25-15/h4-11,13,26H,3,12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42150
PNG
(2-[[4-(2-methoxyphenyl)-5-[(m-toluoylamino)methyl]...)
Show SMILES COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC |(20.08,.82,;18.62,1.3,;17.47,.27,;17.79,-1.24,;16.01,.74,;14.86,-.29,;13.4,.19,;12.92,1.65,;11.38,1.65,;10.91,.19,;9.44,-.29,;8.3,.74,;6.83,.27,;6.51,-1.24,;5.69,1.3,;4.22,.82,;3.08,1.85,;3.4,3.36,;4.86,3.83,;5.19,5.34,;6.01,2.8,;12.15,-.72,;12.15,-2.26,;13.49,-3.03,;13.49,-4.57,;12.15,-5.34,;10.82,-4.57,;10.82,-3.03,;9.49,-2.26,;8.15,-3.03,)|
Show InChI InChI=1S/C21H22N4O4S/c1-14-7-6-8-15(11-14)20(27)22-12-18-23-24-21(30-13-19(26)29-3)25(18)16-9-4-5-10-17(16)28-2/h4-11H,12-13H2,1-3H3,(H,22,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42152
PNG
(MLS000085524 | N-[4-(1-isoamylbenzimidazol-2-yl)fu...)
Show SMILES CCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
Show InChI InChI=1S/C17H21N5O2/c1-4-14(23)19-16-15(20-24-21-16)17-18-12-7-5-6-8-13(12)22(17)10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42154
PNG
(3-({[1-(thien-2-ylcarbonyl)-4,5-dihydro-1H-imidazo...)
Show SMILES O=C(N1CCN=C1SCc1cccnc1)c1cccs1 |c:5|
Show InChI InChI=1S/C14H13N3OS2/c18-13(12-4-2-8-19-12)17-7-6-16-14(17)20-10-11-3-1-5-15-9-11/h1-5,8-9H,6-7,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42155
PNG
(4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropyl...)
Show SMILES CC(N1CCc2ccccc2C1)C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21
Show InChI InChI=1S/C24H24N2O4/c1-15(25-12-10-16-5-2-3-6-17(16)14-25)23(28)26-11-4-7-19-20-13-18(27)8-9-21(20)30-24(29)22(19)26/h2-3,5-6,8-9,13,15,27H,4,7,10-12,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42160
PNG
(5-methyl-3-phenyl-N-(2-pyridinylmethyl)-4-isoxazol...)
Show SMILES Cc1onc(c1C(=O)NCc1ccccn1)-c1ccccc1
Show InChI InChI=1S/C17H15N3O2/c1-12-15(16(20-22-12)13-7-3-2-4-8-13)17(21)19-11-14-9-5-6-10-18-14/h2-10H,11H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42162
PNG
(2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-2-pheny...)
Show SMILES OC(=O)C(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C19H20N2O6S/c22-18(20-17(19(23)24)14-4-2-1-3-5-14)15-6-8-16(9-7-15)28(25,26)21-10-12-27-13-11-21/h1-9,17H,10-13H2,(H,20,22)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42163
PNG
(2-[[5-(2-methoxy-2-oxidanylidene-ethyl)-1,3-thiazo...)
Show SMILES [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ncc(CC(=O)OC)s1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
Show InChI InChI=1S/C15H18N2O5S/c1-22-10(18)5-9-6-16-15(23-9)17-13(19)11-7-2-3-8(4-7)12(11)14(20)21/h6-8,11-12H,2-5H2,1H3,(H,20,21)(H,16,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42165
PNG
(1-[3-(4-biphenylyloxy)propyl]-4-ethylpiperazine | ...)
Show SMILES CCN1CCN(CCCOc2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C21H28N2O/c1-2-22-14-16-23(17-15-22)13-6-18-24-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-18H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42168
PNG
(3-[[2-(4-benzylpiperazino)acetyl]amino]-4-chloro-b...)
Show SMILES COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C21H24ClN3O3/c1-28-21(27)17-7-8-18(22)19(13-17)23-20(26)15-25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42171
PNG
(MLS000097112 | N-[4-(diethylamino)-2-methyl-phenyl...)
Show SMILES CCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)c(C)c1
Show InChI InChI=1S/C19H24N2O2/c1-5-21(6-2)16-10-11-18(14(3)12-16)20-19(22)15-8-7-9-17(13-15)23-4/h7-13H,5-6H2,1-4H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42176
PNG
(MLS000119095 | N-(phenylmethyl)-1-(8-quinolinylsul...)
Show SMILES O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C21H21N3O3S/c25-21(23-15-16-7-2-1-3-8-16)18-11-6-14-24(18)28(26,27)19-12-4-9-17-10-5-13-22-20(17)19/h1-5,7-10,12-13,18H,6,11,14-15H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42182
PNG
(3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyr...)
Show SMILES CCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:7|
Show InChI InChI=1S/C15H15NO5/c1-3-21-13(18)11-8(2)16-15(20)10-7-5-4-6-9(10)12(17)14(11,15)19/h4-7,11,19-20H,3H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42183
PNG
((4-methyl-2-oxidanylidene-chromen-6-yl) 2-(4,6-dim...)
Show SMILES Cc1cc(C)nc(SCC(=O)Oc2ccc3oc(=O)cc(C)c3c2)n1
Show InChI InChI=1S/C18H16N2O4S/c1-10-6-16(21)24-15-5-4-13(8-14(10)15)23-17(22)9-25-18-19-11(2)7-12(3)20-18/h4-8H,9H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM42185
PNG
(5-hydroxy-3-isopropyl-5-methyl-2-phenyl-isoxazolid...)
Show SMILES COC(=O)C1C(C(C)C)N(OC1(C)O)c1ccccc1
Show InChI InChI=1S/C15H21NO4/c1-10(2)13-12(14(17)19-4)15(3,18)20-16(13)11-8-6-5-7-9-11/h5-10,12-13,18H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q2GT5KKS
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 150 total )  |  Next  |  Last  >>
Jump to: