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Compile Data Set for Download or QSAR

Found 9 hits of ki for UniProtKB: P15273   
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
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Yersinia enterocolitica YopH assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Bur...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50435419
PNG
(CHEMBL2392065)
Show SMILES Oc1c2C3OC(C=C3)c2c(O)n1-c1ccc(cc1)S(=O)(=O)N1CCCC1 |c:6|
Show InChI InChI=1S/C18H18N2O5S/c21-17-15-13-7-8-14(25-13)16(15)18(22)20(17)11-3-5-12(6-4-11)26(23,24)19-9-1-2-10-19/h3-8,13-14,21-22H,1-2,9-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50363136
PNG
(CHEMBL455453)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+
PDB
MMDB

KEGG

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

Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50363152
PNG
(CHEMBL455469)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H11NO5/c18-14(12-2-1-3-13(9-12)17(19)20)6-4-11-5-7-15-16(8-11)22-10-21-15/h1-9H,10H2/b6-4+
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
PDB
UniChem

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Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50363150
PNG
(CHEMBL1946986)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C21H12ClF3O4/c22-16-5-2-13(21(23,24)25)10-15(16)18-8-4-14(29-18)3-6-17(26)12-1-7-19-20(9-12)28-11-27-19/h1-10H,11H2/b6-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.11E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
PDB
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KEGG

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Article
PubMed
1.25E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constant for enzyme-substrate complex


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50363138
PNG
(CHEMBL1098610)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H16O/c24-23(22-13-12-19-6-2-4-8-21(19)16-22)14-10-17-9-11-18-5-1-3-7-20(18)15-17/h1-16H/b14-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
1.41E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50435418
PNG
(CHEMBL1814108)
Show SMILES Clc1ccc2C(=O)N(Cc3ccc(cc3)S(=O)(=O)N3CCOCC3)C(=O)c3cccc1c23
Show InChI InChI=1S/C23H19ClN2O5S/c24-20-9-8-19-21-17(20)2-1-3-18(21)22(27)26(23(19)28)14-15-4-6-16(7-5-15)32(29,30)25-10-12-31-13-11-25/h1-9H,10-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.83E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constant


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair