Found 29 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326496
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxy phen...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C43H31NO10/c45-39(42(48)49)30-10-16-34(17-11-30)52-25-27-6-7-32(26-53-35-18-12-31(13-19-35)40(46)43(50)51)38(24-27)41(47)44-33-14-22-37(23-15-33)54-36-20-8-29(9-21-36)28-4-2-1-3-5-28/h1-24H,25-26H2,(H,44,47)(H,48,49)(H,50,51) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326497
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326498
(4, 4'-[[2-[[(4-(4-Ethyl)phenoxyphenyl)amino]carbon...)Show SMILES CCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C39H31NO10/c1-2-24-4-13-32(14-5-24)50-33-19-11-29(12-20-33)40-37(43)34-21-25(22-48-30-15-7-26(8-16-30)35(41)38(44)45)3-6-28(34)23-49-31-17-9-27(10-18-31)36(42)39(46)47/h3-21H,2,22-23H2,1H3,(H,40,43)(H,44,45)(H,46,47) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326499
(4, 4'-[[2-[[(4-(4-n-Hexyl)phenoxyphenyl)amino]carb...)Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C43H39NO10/c1-2-3-4-5-6-28-8-17-36(18-9-28)54-37-23-15-33(16-24-37)44-41(47)38-25-29(26-52-34-19-11-30(12-20-34)39(45)42(48)49)7-10-32(38)27-53-35-21-13-31(14-22-35)40(46)43(50)51/h7-25H,2-6,26-27H2,1H3,(H,44,47)(H,48,49)(H,50,51) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326500
(2,2'-(4,4'-(2-(3-(benzyloxy)phenylcarbamoyl)-1,4-p...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2cccc(OCc3ccccc3)c2)cc1 Show InChI InChI=1S/C38H29NO10/c40-34(37(43)44)26-11-15-30(16-12-26)47-22-25-9-10-28(23-49-31-17-13-27(14-18-31)35(41)38(45)46)33(19-25)36(42)39-29-7-4-8-32(20-29)48-21-24-5-2-1-3-6-24/h1-20H,21-23H2,(H,39,42)(H,43,44)(H,45,46) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326502
(2,2'-(4,4'-(2-(4-(4-fluorophenoxy)phenylcarbamoyl)...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 Show InChI InChI=1S/C37H26FNO10/c38-26-7-15-30(16-8-26)49-31-17-9-27(10-18-31)39-35(42)32-19-22(20-47-28-11-3-23(4-12-28)33(40)36(43)44)1-2-25(32)21-48-29-13-5-24(6-14-29)34(41)37(45)46/h1-19H,20-21H2,(H,39,42)(H,43,44)(H,45,46) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326501
(2,2'-(4,4'-(2-(4-(4-(methylthio)phenoxy)phenylcarb...)Show SMILES CSc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C38H29NO10S/c1-50-32-18-16-31(17-19-32)49-30-14-8-27(9-15-30)39-36(42)33-20-23(21-47-28-10-4-24(5-11-28)34(40)37(43)44)2-3-26(33)22-48-29-12-6-25(7-13-29)35(41)38(45)46/h2-20H,21-22H2,1H3,(H,39,42)(H,43,44)(H,45,46) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326503
(2,2'-(4,4'-(2-(4-(p-tolyloxy)phenylcarbamoyl)-1,4-...)Show SMILES Cc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C38H29NO10/c1-23-2-12-31(13-3-23)49-32-18-10-28(11-19-32)39-36(42)33-20-24(21-47-29-14-6-25(7-15-29)34(40)37(43)44)4-5-27(33)22-48-30-16-8-26(9-17-30)35(41)38(45)46/h2-20H,21-22H2,1H3,(H,39,42)(H,43,44)(H,45,46) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326504
(2,2'-(4,4'-(2-(4-(4-butylphenoxy)phenylcarbamoyl)-...)Show SMILES CCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C41H35NO10/c1-2-3-4-26-6-15-34(16-7-26)52-35-21-13-31(14-22-35)42-39(45)36-23-27(24-50-32-17-9-28(10-18-32)37(43)40(46)47)5-8-30(36)25-51-33-19-11-29(12-20-33)38(44)41(48)49/h5-23H,2-4,24-25H2,1H3,(H,42,45)(H,46,47)(H,48,49) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326505
(2,2'-(4,4'-(2-(4-(3,4-dichlorophenoxy)phenylcarbam...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cc1 Show InChI InChI=1S/C37H25Cl2NO10/c38-31-16-15-29(18-32(31)39)50-28-13-7-25(8-14-28)40-35(43)30-17-21(19-48-26-9-3-22(4-10-26)33(41)36(44)45)1-2-24(30)20-49-27-11-5-23(6-12-27)34(42)37(46)47/h1-18H,19-20H2,(H,40,43)(H,44,45)(H,46,47) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326506
(2,2'-(4,4'-(2-(4-(3-chlorophenoxy)phenylcarbamoyl)...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)cc1 Show InChI InChI=1S/C37H26FNO10/c38-26-2-1-3-31(19-26)49-30-16-10-27(11-17-30)39-35(42)32-18-22(20-47-28-12-6-23(7-13-28)33(40)36(43)44)4-5-25(32)21-48-29-14-8-24(9-15-29)34(41)37(45)46/h1-19H,20-21H2,(H,39,42)(H,43,44)(H,45,46) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326496
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxy phen...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C43H31NO10/c45-39(42(48)49)30-10-16-34(17-11-30)52-25-27-6-7-32(26-53-35-18-12-31(13-19-35)40(46)43(50)51)38(24-27)41(47)44-33-14-22-37(23-15-33)54-36-20-8-29(9-21-36)28-4-2-1-3-5-28/h1-24H,25-26H2,(H,44,47)(H,48,49)(H,50,51) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326507
(2,2'-(4,4'-(2-(4-(o-tolyloxy)phenylcarbamoyl)-1,4-...)Show SMILES Cc1ccccc1Oc1ccc(NC(=O)c2cc(COc3ccc(cc3)C(=O)C(O)=O)ccc2COc2ccc(cc2)C(=O)C(O)=O)cc1 Show InChI InChI=1S/C38H29NO10/c1-23-4-2-3-5-33(23)49-31-18-12-28(13-19-31)39-36(42)32-20-24(21-47-29-14-8-25(9-15-29)34(40)37(43)44)6-7-27(32)22-48-30-16-10-26(11-17-30)35(41)38(45)46/h2-20H,21-22H2,1H3,(H,39,42)(H,43,44)(H,45,46) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326508
(2,2'-(4,4'-(2-(4-phenoxyphenylcarbamoyl)-1,4-pheny...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C37H27NO10/c39-33(36(42)43)24-8-14-28(15-9-24)46-21-23-6-7-26(22-47-29-16-10-25(11-17-29)34(40)37(44)45)32(20-23)35(41)38-27-12-18-31(19-13-27)48-30-4-2-1-3-5-30/h1-20H,21-22H2,(H,38,41)(H,42,43)(H,44,45) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326498
(4, 4'-[[2-[[(4-(4-Ethyl)phenoxyphenyl)amino]carbon...)Show SMILES CCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C39H31NO10/c1-2-24-4-13-32(14-5-24)50-33-19-11-29(12-20-33)40-37(43)34-21-25(22-48-30-15-7-26(8-16-30)35(41)38(44)45)3-6-28(34)23-49-31-17-9-27(10-18-31)36(42)39(46)47/h3-21H,2,22-23H2,1H3,(H,40,43)(H,44,45)(H,46,47) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326509
(2,2'-(4,4'-(2-(4-(4-isopropylphenoxy)phenylcarbamo...)Show SMILES CC(C)c1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C40H33NO10/c1-24(2)26-5-17-33(18-6-26)51-34-19-11-30(12-20-34)41-38(44)35-21-25(22-49-31-13-7-27(8-14-31)36(42)39(45)46)3-4-29(35)23-50-32-15-9-28(10-16-32)37(43)40(47)48/h3-21,24H,22-23H2,1-2H3,(H,41,44)(H,45,46)(H,47,48) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326510
(2,2'-(4,4'-(2-(4-(2,4-difluorophenoxy)phenylcarbam...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2)cc1 Show InChI InChI=1S/C37H25F2NO10/c38-25-7-16-32(31(39)18-25)50-29-14-8-26(9-15-29)40-35(43)30-17-21(19-48-27-10-3-22(4-11-27)33(41)36(44)45)1-2-24(30)20-49-28-12-5-23(6-13-28)34(42)37(46)47/h1-18H,19-20H2,(H,40,43)(H,44,45)(H,46,47) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326511
(2,2'-(4,4'-(2-(4-(4-methoxyphenoxy)phenylcarbamoyl...)Show SMILES COc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C38H29NO11/c1-47-28-16-18-32(19-17-28)50-31-14-8-27(9-15-31)39-36(42)33-20-23(21-48-29-10-4-24(5-11-29)34(40)37(43)44)2-3-26(33)22-49-30-12-6-25(7-13-30)35(41)38(45)46/h2-20H,21-22H2,1H3,(H,39,42)(H,43,44)(H,45,46) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326499
(4, 4'-[[2-[[(4-(4-n-Hexyl)phenoxyphenyl)amino]carb...)Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C43H39NO10/c1-2-3-4-5-6-28-8-17-36(18-9-28)54-37-23-15-33(16-24-37)44-41(47)38-25-29(26-52-34-19-11-30(12-20-34)39(45)42(48)49)7-10-32(38)27-53-35-21-13-31(14-22-35)40(46)43(50)51/h7-25H,2-6,26-27H2,1H3,(H,44,47)(H,48,49)(H,50,51) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Protein-tyrosine-phosphatase
(Yersinia pestis) | BDBM50326512
(2,2'-(4,4'-(2-(4-(4-cyanophenoxy)phenylcarbamoyl)-...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)C#N)cc2)cc1 Show InChI InChI=1S/C38H26N2O10/c39-20-23-2-11-31(12-3-23)50-32-17-9-28(10-18-32)40-36(43)33-19-24(21-48-29-13-5-25(6-14-29)34(41)37(44)45)1-4-27(33)22-49-30-15-7-26(8-16-30)35(42)38(46)47/h1-19H,21-22H2,(H,40,43)(H,44,45)(H,46,47) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of Yersinia pestis YOpH |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50326497
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50326499
(4, 4'-[[2-[[(4-(4-n-Hexyl)phenoxyphenyl)amino]carb...)Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C43H39NO10/c1-2-3-4-5-6-28-8-17-36(18-9-28)54-37-23-15-33(16-24-37)44-41(47)38-25-29(26-52-34-19-11-30(12-20-34)39(45)42(48)49)7-10-32(38)27-53-35-21-13-31(14-22-35)40(46)43(50)51/h7-25H,2-6,26-27H2,1H3,(H,44,47)(H,48,49)(H,50,51) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50326498
(4, 4'-[[2-[[(4-(4-Ethyl)phenoxyphenyl)amino]carbon...)Show SMILES CCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C39H31NO10/c1-2-24-4-13-32(14-5-24)50-33-19-11-29(12-20-33)40-37(43)34-21-25(22-48-30-15-7-26(8-16-30)35(41)38(44)45)3-6-28(34)23-49-31-17-9-27(10-18-31)36(42)39(46)47/h3-21H,2,22-23H2,1H3,(H,40,43)(H,44,45)(H,46,47) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50326497
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM50326496
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxy phen...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C43H31NO10/c45-39(42(48)49)30-10-16-34(17-11-30)52-25-27-6-7-32(26-53-35-18-12-31(13-19-35)40(46)43(50)51)38(24-27)41(47)44-33-14-22-37(23-15-33)54-36-20-8-29(9-21-36)28-4-2-1-3-5-28/h1-24H,25-26H2,(H,44,47)(H,48,49)(H,50,51) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 7
(Homo sapiens (Human)) | BDBM50326496
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxy phen...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C43H31NO10/c45-39(42(48)49)30-10-16-34(17-11-30)52-25-27-6-7-32(26-53-35-18-12-31(13-19-35)40(46)43(50)51)38(24-27)41(47)44-33-14-22-37(23-15-33)54-36-20-8-29(9-21-36)28-4-2-1-3-5-28/h1-24H,25-26H2,(H,44,47)(H,48,49)(H,50,51) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of HePTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 7
(Homo sapiens (Human)) | BDBM50326499
(4, 4'-[[2-[[(4-(4-n-Hexyl)phenoxyphenyl)amino]carb...)Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C43H39NO10/c1-2-3-4-5-6-28-8-17-36(18-9-28)54-37-23-15-33(16-24-37)44-41(47)38-25-29(26-52-34-19-11-30(12-20-34)39(45)42(48)49)7-10-32(38)27-53-35-21-13-31(14-22-35)40(46)43(50)51/h7-25H,2-6,26-27H2,1H3,(H,44,47)(H,48,49)(H,50,51) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of HePTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 7
(Homo sapiens (Human)) | BDBM50326498
(4, 4'-[[2-[[(4-(4-Ethyl)phenoxyphenyl)amino]carbon...)Show SMILES CCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C39H31NO10/c1-2-24-4-13-32(14-5-24)50-33-19-11-29(12-20-33)40-37(43)34-21-25(22-48-30-15-7-26(8-16-30)35(41)38(44)45)3-6-28(34)23-49-31-17-9-27(10-18-31)36(42)39(46)47/h3-21H,2,22-23H2,1H3,(H,40,43)(H,44,45)(H,46,47) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of HePTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 7
(Homo sapiens (Human)) | BDBM50326497
(4, 4'-[[2-[[(4-(4-Trifluoromethylthio)phenoxypheny...)Show SMILES OC(=O)C(=O)c1ccc(OCc2ccc(COc3ccc(cc3)C(=O)C(O)=O)c(c2)C(=O)Nc2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)cc1 Show InChI InChI=1S/C38H26F3NO10S/c39-38(40,41)53-31-17-15-30(16-18-31)52-29-13-7-26(8-14-29)42-35(45)32-19-22(20-50-27-9-3-23(4-10-27)33(43)36(46)47)1-2-25(32)21-51-28-11-5-24(6-12-28)34(44)37(48)49/h1-19H,20-21H2,(H,42,45)(H,46,47)(H,48,49) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Brown University
Curated by ChEMBL
| Assay Description
Inhibition of HePTP |
J Med Chem 53: 6768-72 (2010)
Article DOI: 10.1021/jm100528p
BindingDB Entry DOI: 10.7270/Q2988777 |
More data for this
Ligand-Target Pair | |
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