Found 45 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)) | BDBM50171100
(CHEMBL198882 | {4-[[4-(Difluoro-phosphono-methyl)-...)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(cc1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C25H22F2N3O8PS2/c26-25(27,39(33,34)35)20-7-3-18(4-8-20)14-30(13-17-1-5-19(6-2-17)23-16-40-29-28-23)41(36,37)22-11-9-21(10-12-22)38-15-24(31)32/h1-12,16H,13-15H2,(H,31,32)(H2,33,34,35) | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50171099
((4-((N-(4-(1,2,3-thiadiazol-4-yl)benzyl)phenylsulf...)Show SMILES OP(O)(=O)C(F)(F)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H20F2N3O5PS2/c24-23(25,34(29,30)31)20-12-8-18(9-13-20)15-28(36(32,33)21-4-2-1-3-5-21)14-17-6-10-19(11-7-17)22-16-35-27-26-22/h1-13,16H,14-15H2,(H2,29,30,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376607
(CHEMBL445680)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(NC(=O)C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C27H22N4O10S2/c32-24(33)14-41-19-6-8-20(9-7-19)43(39,40)31(12-16-1-4-18(5-2-16)23-15-42-30-29-23)13-17-3-10-22(21(11-17)26(35)36)28-25(34)27(37)38/h1-11,15H,12-14H2,(H,28,34)(H,32,33)(H,35,36)(H,37,38) | 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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376617
(CHEMBL407722)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(OCC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H22BrN3O8S2/c27-22-11-18(3-10-24(22)38-15-26(33)34)13-30(12-17-1-4-19(5-2-17)23-16-39-29-28-23)40(35,36)21-8-6-20(7-9-21)37-14-25(31)32/h1-11,16H,12-15H2,(H,31,32)(H,33,34) | 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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376614
(CHEMBL259456)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(OCC(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C27H23N3O10S2/c31-25(32)14-39-20-6-8-21(9-7-20)42(37,38)30(12-17-1-4-19(5-2-17)23-16-41-29-28-23)13-18-3-10-24(40-15-26(33)34)22(11-18)27(35)36/h1-11,16H,12-15H2,(H,31,32)(H,33,34)(H,35,36) | 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 | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376616
(CHEMBL410483)Show SMILES OC(=O)COc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1Br Show InChI InChI=1S/C24H20BrN3O5S2/c25-21-12-18(8-11-23(21)33-15-24(29)30)14-28(35(31,32)20-4-2-1-3-5-20)13-17-6-9-19(10-7-17)22-16-34-27-26-22/h1-12,16H,13-15H2,(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
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376606
(CHEMBL259505)Show SMILES OC(=O)C(=O)Nc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C25H20N4O7S2/c30-23(25(33)34)26-21-11-8-17(12-20(21)24(31)32)14-29(38(35,36)19-4-2-1-3-5-19)13-16-6-9-18(10-7-16)22-15-37-28-27-22/h1-12,15H,13-14H2,(H,26,30)(H,31,32)(H,33,34) | 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 | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376613
(CHEMBL406646)Show SMILES OC(=O)COc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1C(O)=O Show InChI InChI=1S/C25H21N3O7S2/c29-24(30)15-35-23-11-8-18(12-21(23)25(31)32)14-28(37(33,34)20-4-2-1-3-5-20)13-17-6-9-19(10-7-17)22-16-36-27-26-22/h1-12,16H,13-15H2,(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
Similars
| Article
PubMed
| n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376605
(CHEMBL409311)Show SMILES OC(=O)C(=O)Nc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1Br Show InChI InChI=1S/C24H19BrN4O5S2/c25-20-12-17(8-11-21(20)26-23(30)24(31)32)14-29(36(33,34)19-4-2-1-3-5-19)13-16-6-9-18(10-7-16)22-15-35-28-27-22/h1-12,15H,13-14H2,(H,26,30)(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376603
(CHEMBL259284)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(cc1)C(F)(F)C(O)=O Show InChI InChI=1S/C26H21F2N3O7S2/c27-26(28,25(34)35)20-7-3-18(4-8-20)14-31(13-17-1-5-19(6-2-17)23-16-39-30-29-23)40(36,37)22-11-9-21(10-12-22)38-15-24(32)33/h1-12,16H,13-15H2,(H,32,33)(H,34,35) | 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 | 1.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376620
(CHEMBL261732)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1cc(F)c(OCC(O)=O)c(F)c1 Show InChI InChI=1S/C26H21F2N3O8S2/c27-21-9-17(10-22(28)26(21)39-14-25(34)35)12-31(11-16-1-3-18(4-2-16)23-15-40-30-29-23)41(36,37)20-7-5-19(6-8-20)38-13-24(32)33/h1-10,15H,11-14H2,(H,32,33)(H,34,35) | 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 | 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376602
(CHEMBL410625)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)C(O)=O)Cc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C26H21N3O8S2/c30-24(31)15-37-21-9-11-22(12-10-21)39(35,36)29(14-18-3-7-20(8-4-18)25(32)26(33)34)13-17-1-5-19(6-2-17)23-16-38-28-27-23/h1-12,16H,13-15H2,(H,30,31)(H,33,34) | 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 | 2.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376608
(CHEMBL410332)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc2oc(cc2c1)C(O)=O Show InChI InChI=1S/C27H21N3O8S2/c31-26(32)15-37-21-6-8-22(9-7-21)40(35,36)30(13-17-1-4-19(5-2-17)23-16-39-29-28-23)14-18-3-10-24-20(11-18)12-25(38-24)27(33)34/h1-12,16H,13-15H2,(H,31,32)(H,33,34) | 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 | 2.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376623
(CHEMBL260925)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)C(O)=O)cc1)Cc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C26H21F2N3O8S2/c27-26(28,25(34)35)39-21-7-3-18(4-8-21)14-31(13-17-1-5-19(6-2-17)23-16-40-30-29-23)41(36,37)22-11-9-20(10-12-22)38-15-24(32)33/h1-12,16H,13-15H2,(H,32,33)(H,34,35) | 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 | 2.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376595
(CHEMBL260425)Show SMILES Cc1cc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc(C)c1OC(Cc1ccccc1)C(O)=O |w:32.35| Show InChI InChI=1S/C33H31N3O5S2/c1-23-17-27(18-24(2)32(23)41-31(33(37)38)19-25-9-5-3-6-10-25)21-36(43(39,40)29-11-7-4-8-12-29)20-26-13-15-28(16-14-26)30-22-42-35-34-30/h3-18,22,31H,19-21H2,1-2H3,(H,37,38) | 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 | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376630
(CHEMBL259071)Show SMILES OC(=O)C(F)(F)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H19F2N3O4S2/c25-24(26,23(30)31)20-12-8-18(9-13-20)15-29(35(32,33)21-4-2-1-3-5-21)14-17-6-10-19(11-7-17)22-16-34-28-27-22/h1-13,16H,14-15H2,(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
| n/a | n/a | 5.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376629
(CHEMBL408447)Show SMILES OC(=O)C(F)(F)Oc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1Br Show InChI InChI=1S/C24H18BrF2N3O5S2/c25-20-12-17(8-11-22(20)35-24(26,27)23(31)32)14-30(37(33,34)19-4-2-1-3-5-19)13-16-6-9-18(10-7-16)21-15-36-29-28-21/h1-12,15H,13-14H2,(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
| n/a | n/a | 5.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376618
(CHEMBL258463)Show SMILES OC(=O)COc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1Cl Show InChI InChI=1S/C24H20ClN3O5S2/c25-21-12-18(8-11-23(21)33-15-24(29)30)14-28(35(31,32)20-4-2-1-3-5-20)13-17-6-9-19(10-7-17)22-16-34-27-26-22/h1-12,16H,13-15H2,(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
| n/a | n/a | 5.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376624
(CHEMBL428791)Show SMILES OC(=O)COc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O5S2/c28-24(29)16-32-21-12-8-19(9-13-21)15-27(34(30,31)22-4-2-1-3-5-22)14-18-6-10-20(11-7-18)23-17-33-26-25-23/h1-13,17H,14-16H2,(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
| n/a | n/a | 5.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376636
(CHEMBL259170)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(OCC(O)=O)c(Cl)c1 Show InChI InChI=1S/C26H22ClN3O8S2/c27-22-11-18(3-10-24(22)38-15-26(33)34)13-30(12-17-1-4-19(5-2-17)23-16-39-29-28-23)40(35,36)21-8-6-20(7-9-21)37-14-25(31)32/h1-11,16H,12-15H2,(H,31,32)(H,33,34) | 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 | 5.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376625
(CHEMBL258697)Show SMILES OC(=O)COc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C26H23N3O8S2/c30-25(31)15-36-21-7-3-19(4-8-21)14-29(13-18-1-5-20(6-2-18)24-17-38-28-27-24)39(34,35)23-11-9-22(10-12-23)37-16-26(32)33/h1-12,17H,13-16H2,(H,30,31)(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
| n/a | n/a | 5.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376601
(CHEMBL262084)Show SMILES OC(=O)C(=O)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H19N3O5S2/c28-23(24(29)30)20-12-8-18(9-13-20)15-27(34(31,32)21-4-2-1-3-5-21)14-17-6-10-19(11-7-17)22-16-33-26-25-22/h1-13,16H,14-15H2,(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
| n/a | n/a | 6.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376632
(CHEMBL264144)Show SMILES OC(=O)c1cc2cc(CN(Cc3ccc(cc3)-c3csnn3)S(=O)(=O)c3ccccc3)ccc2o1 Show InChI InChI=1S/C25H19N3O5S2/c29-25(30)24-13-20-12-18(8-11-23(20)33-24)15-28(35(31,32)21-4-2-1-3-5-21)14-17-6-9-19(10-7-17)22-16-34-27-26-22/h1-13,16H,14-15H2,(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
| n/a | n/a | 6.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376597
(CHEMBL260919)Show SMILES CC(C(O)=O)(C(O)=O)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C28H25N3O9S2/c1-28(26(34)35,27(36)37)21-8-4-19(5-9-21)15-31(14-18-2-6-20(7-3-18)24-17-41-30-29-24)42(38,39)23-12-10-22(11-13-23)40-16-25(32)33/h2-13,17H,14-16H2,1H3,(H,32,33)(H,34,35)(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376635
(CHEMBL260675)Show SMILES Cc1cc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)ccc1OCC(O)=O Show InChI InChI=1S/C27H25N3O8S2/c1-18-12-20(4-11-25(18)38-16-27(33)34)14-30(13-19-2-5-21(6-3-19)24-17-39-29-28-24)40(35,36)23-9-7-22(8-10-23)37-15-26(31)32/h2-12,17H,13-16H2,1H3,(H,31,32)(H,33,34) | 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 | 7.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376600
(CHEMBL258479)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(OC(F)(F)C(O)=O)c(Br)c1 Show InChI InChI=1S/C26H20BrF2N3O8S2/c27-21-11-17(3-10-23(21)40-26(28,29)25(35)36)13-32(12-16-1-4-18(5-2-16)22-15-41-31-30-22)42(37,38)20-8-6-19(7-9-20)39-14-24(33)34/h1-11,15H,12-14H2,(H,33,34)(H,35,36) | 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 | 7.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376615
(CHEMBL259455)Show SMILES Cc1cc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)ccc1OCC(O)=O Show InChI InChI=1S/C25H23N3O5S2/c1-18-13-20(9-12-24(18)33-16-25(29)30)15-28(35(31,32)22-5-3-2-4-6-22)14-19-7-10-21(11-8-19)23-17-34-27-26-23/h2-13,17H,14-16H2,1H3,(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
| n/a | n/a | 8.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376627
(CHEMBL409926)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CP(O)(O)=O)cc1)Cc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C25H24N3O8PS2/c29-25(30)15-36-22-9-11-23(12-10-22)39(34,35)28(13-18-1-3-20(4-2-18)16-37(31,32)33)14-19-5-7-21(8-6-19)24-17-38-27-26-24/h1-12,17H,13-16H2,(H,29,30)(H2,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376622
(CHEMBL261206)Show SMILES OC(=O)C(F)(F)Oc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H19F2N3O5S2/c25-24(26,23(30)31)34-20-12-8-18(9-13-20)15-29(36(32,33)21-4-2-1-3-5-21)14-17-6-10-19(11-7-17)22-16-35-28-27-22/h1-13,16H,14-15H2,(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
| n/a | n/a | 9.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376634
(CHEMBL408711)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(SCC(O)=O)cc1)Cc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C26H23N3O7S3/c30-25(31)15-36-21-7-11-23(12-8-21)39(34,35)29(14-19-3-9-22(10-4-19)37-17-26(32)33)13-18-1-5-20(6-2-18)24-16-38-28-27-24/h1-12,16H,13-15,17H2,(H,30,31)(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
| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376612
(CHEMBL261049)Show SMILES OC(=O)CSc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O4S3/c28-24(29)17-32-21-12-8-19(9-13-21)15-27(34(30,31)22-4-2-1-3-5-22)14-18-6-10-20(11-7-18)23-16-33-26-25-23/h1-13,16H,14-15,17H2,(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
| n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376626
(CHEMBL409829)Show SMILES OP(O)(=O)Cc1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H22N3O5PS2/c27-32(28,29)16-20-8-6-18(7-9-20)14-26(34(30,31)22-4-2-1-3-5-22)15-19-10-12-21(13-11-19)23-17-33-25-24-23/h1-13,17H,14-16H2,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.23E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376619
(CHEMBL259171)Show SMILES OC(=O)COc1c(F)cc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1F Show InChI InChI=1S/C24H19F2N3O5S2/c25-20-10-17(11-21(26)24(20)34-14-23(30)31)13-29(36(32,33)19-4-2-1-3-5-19)12-16-6-8-18(9-7-16)22-15-35-28-27-22/h1-11,15H,12-14H2,(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
| n/a | n/a | 1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376628
(CHEMBL260924)Show SMILES CC(C(O)=O)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1 |w:1.0| Show InChI InChI=1S/C27H25N3O7S2/c1-18(27(33)34)21-6-2-19(3-7-21)14-30(15-20-4-8-22(9-5-20)25-17-38-29-28-25)39(35,36)24-12-10-23(11-13-24)37-16-26(31)32/h2-13,17-18H,14-16H2,1H3,(H,31,32)(H,33,34) | 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 | 1.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376633
(CHEMBL264404)Show SMILES OC(=O)CS(=O)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O5S3/c28-24(29)17-34(30)21-12-8-19(9-13-21)15-27(35(31,32)22-4-2-1-3-5-22)14-18-6-10-20(11-7-18)23-16-33-26-25-23/h1-13,16H,14-15,17H2,(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
| n/a | n/a | 1.73E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376637
(CHEMBL260991)Show SMILES OC(=O)C(F)(F)Oc1cccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C24H19F2N3O5S2/c25-24(26,23(30)31)34-20-6-4-5-18(13-20)15-29(36(32,33)21-7-2-1-3-8-21)14-17-9-11-19(12-10-17)22-16-35-28-27-22/h1-13,16H,14-15H2,(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
| n/a | n/a | 1.98E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376621
(CHEMBL260992)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1cccc(OC(F)(F)C(O)=O)c1 Show InChI InChI=1S/C26H21F2N3O8S2/c27-26(28,25(34)35)39-21-3-1-2-18(12-21)14-31(13-17-4-6-19(7-5-17)23-16-40-30-29-23)41(36,37)22-10-8-20(9-11-22)38-15-24(32)33/h1-12,16H,13-15H2,(H,32,33)(H,34,35) | 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 | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376609
(CHEMBL261469)Show SMILES OC(=O)CS(=O)(=O)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O6S3/c28-24(29)17-35(30,31)21-12-8-19(9-13-21)15-27(36(32,33)22-4-2-1-3-5-22)14-18-6-10-20(11-7-18)23-16-34-26-25-23/h1-13,16H,14-15,17H2,(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
| n/a | n/a | 2.32E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376604
(CHEMBL428783)Show SMILES OC(=O)C(=O)N(c1ccccc1)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H24N4O5S2/c35-29(30(36)37)34(25-7-3-1-4-8-25)26-17-13-23(14-18-26)20-33(41(38,39)27-9-5-2-6-10-27)19-22-11-15-24(16-12-22)28-21-40-32-31-28/h1-18,21H,19-20H2,(H,36,37) | 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 | 2.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376598
(CHEMBL261846)Show SMILES COc1cc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)ccc1OC(F)(F)C(O)=O Show InChI InChI=1S/C25H21F2N3O6S2/c1-35-23-13-18(9-12-22(23)36-25(26,27)24(31)32)15-30(38(33,34)20-5-3-2-4-6-20)14-17-7-10-19(11-8-17)21-16-37-29-28-21/h2-13,16H,14-15H2,1H3,(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
| n/a | n/a | 2.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376631
(CHEMBL261733)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1)Cc1ccc(cc1)-c1csnn1 Show InChI InChI=1S/C32H26N4O8S2/c37-30(38)20-44-27-14-16-28(17-15-27)46(42,43)35(18-22-6-10-24(11-7-22)29-21-45-34-33-29)19-23-8-12-26(13-9-23)36(31(39)32(40)41)25-4-2-1-3-5-25/h1-17,21H,18-20H2,(H,37,38)(H,40,41) | 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 | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376599
(CHEMBL260777)Show SMILES COc1cc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)ccc1OC(F)(F)C(O)=O Show InChI InChI=1S/C27H23F2N3O9S2/c1-39-24-12-18(4-11-23(24)41-27(28,29)26(35)36)14-32(13-17-2-5-19(6-3-17)22-16-42-31-30-22)43(37,38)21-9-7-20(8-10-21)40-15-25(33)34/h2-12,16H,13-15H2,1H3,(H,33,34)(H,35,36) | 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 | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376596
(CHEMBL261856)Show SMILES Cc1cc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc(C)c1OC(Cc1ccccc1)C(O)=O |w:37.40| Show InChI InChI=1S/C35H33N3O8S2/c1-23-16-27(17-24(2)34(23)46-32(35(41)42)18-25-6-4-3-5-7-25)20-38(19-26-8-10-28(11-9-26)31-22-47-37-36-31)48(43,44)30-14-12-29(13-15-30)45-21-33(39)40/h3-17,22,32H,18-21H2,1-2H3,(H,39,40)(H,41,42) | 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 | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376611
(CHEMBL265192)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(cc1)S(=O)CC(O)=O Show InChI InChI=1S/C26H23N3O8S3/c30-25(31)15-37-21-7-11-23(12-8-21)40(35,36)29(13-18-1-5-20(6-2-18)24-16-38-28-27-24)14-19-3-9-22(10-4-19)39(34)17-26(32)33/h1-12,16H,13-15,17H2,(H,30,31)(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
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50376610
(CHEMBL409415)Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(cc1)S(=O)(=O)CC(O)=O Show InChI InChI=1S/C26H23N3O9S3/c30-25(31)15-38-21-7-11-23(12-8-21)41(36,37)29(13-18-1-5-20(6-2-18)24-16-39-28-27-24)14-19-3-9-22(10-4-19)40(34,35)17-26(32)33/h1-12,16H,13-15,17H2,(H,30,31)(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
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem Lett 18: 2719-24 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.007
BindingDB Entry DOI: 10.7270/Q23J3DTX |
More data for this
Ligand-Target Pair | |
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