Found 23 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)) | BDBM50380754
(CHEMBL2017853)Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H20ClN3O5/c1-34-21-12-8-17(9-13-21)22(26-29-25(31-36-26)19-6-10-20(28)11-7-19)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380753
(CHEMBL2017852)Show SMILES COc1ccc(cc1)-c1noc(n1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H20FN3O5/c1-34-21-12-8-19(9-13-21)25-29-26(36-31-25)22(17-6-10-20(28)11-7-17)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380755
(CHEMBL2017854)Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(c2nc(no2)-c2cccc(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H17F2N3O3S/c27-19-10-8-16(9-11-19)21(24-30-23(31-34-24)18-2-1-3-20(28)13-18)12-15-4-6-17(7-5-15)25-29-22(14-35-25)26(32)33/h1-11,13-14,21H,12H2,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380756
(CHEMBL2017855)Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1nc(cs1)C(O)=O)c1nc(no1)-c1cccc(F)c1 Show InChI InChI=1S/C27H20FN3O4S/c1-34-21-11-9-17(10-12-21)22(25-30-24(31-35-25)19-3-2-4-20(28)14-19)13-16-5-7-18(8-6-16)26-29-23(15-36-26)27(32)33/h2-12,14-15,22H,13H2,1H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380751
(CHEMBL2017850)Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C25H16ClF2NO3S/c26-18-8-5-15(6-9-18)23(30)19(17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)24-29-22(13-33-24)25(31)32/h1-10,12-13,19H,11H2,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380749
(CHEMBL2017848)Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(Cl)cc2)c2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C25H16ClF2NO4/c26-18-8-5-16(6-9-18)24(30)19(17-7-10-20(27)21(28)12-17)11-14-1-3-15(4-2-14)22-13-23(25(31)32)33-29-22/h1-10,12-13,19H,11H2,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380738
(CHEMBL2017836)Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H19NO4/c27-24(20-9-5-2-6-10-20)21(18-7-3-1-4-8-18)15-17-11-13-19(14-12-17)22-16-23(25(28)29)30-26-22/h1-14,16,21H,15H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380741
(CHEMBL2017840)Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H19NO3S/c27-23(19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)24-26-22(16-30-24)25(28)29/h1-14,16,21H,15H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380748
(CHEMBL2017847)Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO4/c26-18-8-5-15(6-9-18)19(24(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)22-13-23(25(31)32)33-29-22/h1-10,12-13,19H,11H2,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380747
(CHEMBL2017846)Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H17F2NO4/c26-19-9-5-16(6-10-19)21(24(29)18-7-11-20(27)12-8-18)13-15-1-3-17(4-2-15)22-14-23(25(30)31)32-28-22/h1-12,14,21H,13H2,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380750
(CHEMBL2017849)Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO3S/c26-18-8-5-15(6-9-18)19(23(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)24-29-22(13-33-24)25(31)32/h1-10,12-13,19H,11H2,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380746
(CHEMBL2017845)Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(C(=O)c2cc(F)cc(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO4/c26-18-7-5-15(6-8-18)21(24(30)17-10-19(27)12-20(28)11-17)9-14-1-3-16(4-2-14)22-13-23(25(31)32)33-29-22/h1-8,10-13,21H,9H2,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380742
(CHEMBL2017841)Show SMILES OC(=O)c1ccc([nH]1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H21NO3/c28-25(21-9-5-2-6-10-21)22(19-7-3-1-4-8-19)17-18-11-13-20(14-12-18)23-15-16-24(27-23)26(29)30/h1-16,22,27H,17H2,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380752
(CHEMBL2017851)Show SMILES OC(=O)c1cc(no1)-c1ccc(CC(c2nc(no2)-c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H19N3O4/c30-26(31)23-16-22(28-32-23)19-13-11-17(12-14-19)15-21(18-7-3-1-4-8-18)25-27-24(29-33-25)20-9-5-2-6-10-20/h1-14,16,21H,15H2,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380744
(CHEMBL2017843)Show SMILES OC(=O)C1CCN(C1=O)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H23NO4/c28-24(20-9-5-2-6-10-20)23(19-7-3-1-4-8-19)17-18-11-13-21(14-12-18)27-16-15-22(25(27)29)26(30)31/h1-14,22-23H,15-17H2,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM13990
(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380743
(CHEMBL2017842)Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H23NO4/c28-24-16-21(26(30)31)17-27(24)22-13-11-18(12-14-22)15-23(19-7-3-1-4-8-19)25(29)20-9-5-2-6-10-20/h1-14,21,23H,15-17H2,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380737
(CHEMBL2017838)Show SMILES Cn1nc(cc1C(O)=O)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H22N2O3/c1-28-24(26(30)31)17-23(27-28)20-14-12-18(13-15-20)16-22(19-8-4-2-5-9-19)25(29)21-10-6-3-7-11-21/h2-15,17,22H,16H2,1H3,(H,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380740
(CHEMBL2017839)Show SMILES OC(=O)c1coc(n1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H19NO4/c27-23(19-9-5-2-6-10-19)21(18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)24-26-22(16-30-24)25(28)29/h1-14,16,21H,15H2,(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380739
(CHEMBL2017837)Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C25H20N2O3/c28-24(20-9-5-2-6-10-20)21(18-7-3-1-4-8-18)15-17-11-13-19(14-12-17)22-16-23(25(29)30)27-26-22/h1-14,16,21H,15H2,(H,26,27)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50380745
(CHEMBL2017844)Show SMILES OC(=O)c1onc(c1C(O)=O)-c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H19NO6/c28-23(19-9-5-2-6-10-19)20(17-7-3-1-4-8-17)15-16-11-13-18(14-12-16)22-21(25(29)30)24(26(31)32)33-27-22/h1-14,20H,15H2,(H,29,30)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 2
(Homo sapiens (Human)) | BDBM13990
(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.64E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of TCPTP |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50142317
((2-bromo-4-(3-oxo-2,3-diphenylpropyl)phenyl)difluo...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br Show InChI InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b... |
Bioorg Med Chem Lett 22: 2843-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.070
BindingDB Entry DOI: 10.7270/Q2FB53ZS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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