Found 15 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 |
|---|
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50432421
(CHEMBL2349152)Show SMILES COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H23N3O5S2/c1-34-22-11-7-19(8-12-22)24(30)15-4-18-2-5-20(6-3-18)25(31)28-21-9-13-23(14-10-21)36(32,33)29-26-27-16-17-35-26/h2-3,5-14,16-17H,4,15H2,1H3,(H,27,29)(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of recombinant human PTP1B assessed as inhibition of hydrolysis of pNPP by Lineweaver-Burk plot |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50432421
(CHEMBL2349152)Show SMILES COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H23N3O5S2/c1-34-22-11-7-19(8-12-22)24(30)15-4-18-2-5-20(6-3-18)25(31)28-21-9-13-23(14-10-21)36(32,33)29-26-27-16-17-35-26/h2-3,5-14,16-17H,4,15H2,1H3,(H,27,29)(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PTP1B assessed as inhibition of hydrolysis of pNPP by spectrophotometry |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50432423
(CHEMBL2349150)Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H21N3O4S2/c1-18-2-7-20(8-3-18)24(30)15-6-19-4-9-21(10-5-19)25(31)28-22-11-13-23(14-12-22)35(32,33)29-26-27-16-17-34-26/h2-17H,1H3,(H,27,29)(H,28,31)/b15-6+ | 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 | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 (unknown origin) |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50432422
(CHEMBL2349151)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H18N4O4S2/c27-17-19-3-6-20(7-4-19)24(31)14-5-18-1-8-21(9-2-18)25(32)29-22-10-12-23(13-11-22)36(33,34)30-26-28-15-16-35-26/h1-16H,(H,28,30)(H,29,32)/b14-5+ | 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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 (unknown origin) |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50432421
(CHEMBL2349152)Show SMILES COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H23N3O5S2/c1-34-22-11-7-19(8-12-22)24(30)15-4-18-2-5-20(6-3-18)25(31)28-21-9-13-23(14-10-21)36(32,33)29-26-27-16-17-35-26/h2-3,5-14,16-17H,4,15H2,1H3,(H,27,29)(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of SHP2 (unknown origin) |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50432422
(CHEMBL2349151)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H18N4O4S2/c27-17-19-3-6-20(7-4-19)24(31)14-5-18-1-8-21(9-2-18)25(32)29-22-10-12-23(13-11-22)36(33,34)30-26-28-15-16-35-26/h1-16H,(H,28,30)(H,29,32)/b14-5+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of LYP (unknown origin) |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50341989
(3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFUR...)Show SMILES CCc1oc2cc(ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PTP1B assessed as inhibition of hydrolysis of pNPP by spectrophotometry |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50432422
(CHEMBL2349151)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H18N4O4S2/c27-17-19-3-6-20(7-4-19)24(31)14-5-18-1-8-21(9-2-18)25(32)29-22-10-12-23(13-11-22)36(33,34)30-26-28-15-16-35-26/h1-16H,(H,28,30)(H,29,32)/b14-5+ | 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 | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PTP1B assessed as inhibition of hydrolysis of pNPP by spectrophotometry |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50432423
(CHEMBL2349150)Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H21N3O4S2/c1-18-2-7-20(8-3-18)24(30)15-6-19-4-9-21(10-5-19)25(31)28-22-11-13-23(14-12-22)35(32,33)29-26-27-16-17-34-26/h2-17H,1H3,(H,27,29)(H,28,31)/b15-6+ | 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 | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human PTP1B assessed as inhibition of hydrolysis of pNPP by spectrophotometry |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Dual specificity protein phosphatase 3
(Homo sapiens (Human)) | BDBM50432423
(CHEMBL2349150)Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H21N3O4S2/c1-18-2-7-20(8-3-18)24(30)15-6-19-4-9-21(10-5-19)25(31)28-22-11-13-23(14-12-22)35(32,33)29-26-27-16-17-34-26/h2-17H,1H3,(H,27,29)(H,28,31)/b15-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of human VHR |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Dual specificity protein phosphatase 3
(Homo sapiens (Human)) | BDBM50432422
(CHEMBL2349151)Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1ccc(\C=C\C(=O)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C26H18N4O4S2/c27-17-19-3-6-20(7-4-19)24(31)14-5-18-1-8-21(9-2-18)25(32)29-22-10-12-23(13-11-22)36(33,34)30-26-28-15-16-35-26/h1-16H,(H,28,30)(H,29,32)/b14-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of human VHR |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Dual specificity protein phosphatase 3
(Homo sapiens (Human)) | BDBM50432421
(CHEMBL2349152)Show SMILES COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H23N3O5S2/c1-34-22-11-7-19(8-12-22)24(30)15-4-18-2-5-20(6-3-18)25(31)28-21-9-13-23(14-10-21)36(32,33)29-26-27-16-17-35-26/h2-3,5-14,16-17H,4,15H2,1H3,(H,27,29)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of human VHR |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50432421
(CHEMBL2349152)Show SMILES COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H23N3O5S2/c1-34-22-11-7-19(8-12-22)24(30)15-4-18-2-5-20(6-3-18)25(31)28-21-9-13-23(14-10-21)36(32,33)29-26-27-16-17-35-26/h2-3,5-14,16-17H,4,15H2,1H3,(H,27,29)(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of LYP (unknown origin) |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50432423
(CHEMBL2349150)Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H21N3O4S2/c1-18-2-7-20(8-3-18)24(30)15-6-19-4-9-21(10-5-19)25(31)28-22-11-13-23(14-12-22)35(32,33)29-26-27-16-17-34-26/h2-17H,1H3,(H,27,29)(H,28,31)/b15-6+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of LYP (unknown origin) |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 22
(Homo sapiens (Human)) | BDBM50432421
(CHEMBL2349152)Show SMILES COc1ccc(cc1)C(=O)CCc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C26H23N3O5S2/c1-34-22-11-7-19(8-12-22)24(30)15-4-18-2-5-20(6-3-18)25(31)28-21-9-13-23(14-10-21)36(32,33)29-26-27-16-17-35-26/h2-3,5-14,16-17H,4,15H2,1H3,(H,27,29)(H,28,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of TC-PTP (unknown origin) |
Bioorg Med Chem Lett 23: 2313-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.073
BindingDB Entry DOI: 10.7270/Q2XK8GXS |
More data for this
Ligand-Target Pair | |
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