BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'ala' and Initial = 'pj'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13465
PNG
((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O
Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
180n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition constant against protein-tyrosine phosphatase 1B by PNPP enzyme assay


J Med Chem 48: 6544-8 (2005)


Article DOI: 10.1021/jm0504555
BindingDB Entry DOI: 10.7270/Q2805252
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13467
PNG
((2R)-2-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C22H23F4N3O11P2/c23-21(24,41(35,36)37)13-5-1-11(2-6-13)9-15(18(27)31)28-19(32)17(20(33)34)29-16(30)10-12-3-7-14(8-4-12)22(25,26)42(38,39)40/h1-8,15,17H,9-10H2,(H2,27,31)(H,28,32)(H,29,30)(H,33,34)(H2,35,36,37)(H2,38,39,40)/t15-,17+/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13469
PNG
(({4-[(2S)-2-carbamoyl-2-[(2S)-2-(1-{4-[difluoro(ph...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C28H29F4N3O9P2/c29-27(30,45(39,40)41)20-10-6-18(7-11-20)14-22(25(33)37)35-26(38)23(15-17-4-2-1-3-5-17)34-24(36)16-19-8-12-21(13-9-19)28(31,32)46(42,43)44/h1-13,22-23H,14-16H2,(H2,33,37)(H,34,36)(H,35,38)(H2,39,40,41)(H2,42,43,44)/t22-,23-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.70n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189670
PNG
(5-{4-[(2S)-2-(5-chloro-1H-benzimidazol-2-yl)-2-({[...)
Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)c2nc3ccc(Cl)cc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C25H19ClF4N4O5S2/c26-15-5-7-19-20(11-15)32-24(31-19)21(33-40(36,37)16-3-1-2-14(10-16)25(28,29)30)9-13-4-6-17(18(27)8-13)22-12-23(35)34-41(22,38)39/h1-8,10-11,21-22,33H,9,12H2,(H2,31,32,34,35)/p-1/t21-,22?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189686
PNG
(CHEMBL381584 | N-(1S)-1-(1H-benzimidazol-2-yl)-2-{...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)c(F)c1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20F2N4O5S2/c25-15-4-3-5-16(12-15)36(32,33)29-21(24-27-19-6-1-2-7-20(19)28-24)11-14-8-9-17(18(26)10-14)22-13-23(31)30-37(22,34)35/h1-10,12,21-22,29H,11,13H2,(H2,27,28,30,31)/p-1/t21-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189659
PNG
(CHEMBL378614 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccc(Br)c(c2)C(F)(F)F)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C26H22BrF3N4O5S2/c1-14-10-15(6-8-17(14)23-13-24(35)34-41(23,38)39)11-22(25-31-20-4-2-3-5-21(20)32-25)33-40(36,37)16-7-9-19(27)18(12-16)26(28,29)30/h2-10,12,22-23,33H,11,13H2,1H3,(H2,31,32,34,35)/p-1/t22-,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189656
PNG
(CHEMBL208114 | N-{(1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C24H21FN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H2,26,27,29,30)/p-1/t21-,22?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189687
PNG
(CHEMBL211352 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2C#N)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C26H23N5O5S2/c1-16-12-17(10-11-19(16)24-14-25(32)31-38(24,35)36)13-22(26-28-20-7-3-4-8-21(20)29-26)30-37(33,34)23-9-5-2-6-18(23)15-27/h2-12,22,24,30H,13-14H2,1H3,(H2,28,29,31,32)/p-1/t22-,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50228014
PNG
(2-[4-((R)-2-{1-(3-fluoro-benzenesulfonylamino)-2-[...)
Show SMILES Cc1cc(CC(NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](CCCCOc3cccc(O)c3C(O)=O)N2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C32H35FN4O9S2/c1-19-14-20(11-12-24(19)28-17-29(39)37-48(28,44)45)15-25(36-47(42,43)23-8-4-6-21(33)16-23)31-34-18-22(35-31)7-2-3-13-46-27-10-5-9-26(38)30(27)32(40)41/h4-6,8-12,14,16,22,25,28,36,38H,2-3,7,13,15,17-18H2,1H3,(H,34,35)(H,37,39)(H,40,41)/t22-,25?,28?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50228013
PNG
(3-fluoro-N-{1-{(R)-5-[2-(3-methanesulfonyl-phenoxy...)
Show SMILES Cc1cc(CC(NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](CCOc3cccc(c3)S(C)(=O)=O)N2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C30H33FN4O8S3/c1-19-13-20(9-10-26(19)28-17-29(36)35-46(28,41)42)14-27(34-45(39,40)25-8-3-5-21(31)15-25)30-32-18-22(33-30)11-12-43-23-6-4-7-24(16-23)44(2,37)38/h3-10,13,15-16,22,27-28,34H,11-12,14,17-18H2,1-2H3,(H,32,33)(H,35,36)/t22-,27?,28?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228024
PNG
(3-fluoro-N-{1-[5-(3-phenyl-propyl)-1H-imidazol-2-y...)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(CCCc2ccccc2)[nH]1
Show InChI InChI=1S/C29H29FN4O5S2/c30-23-9-5-11-25(17-23)40(36,37)33-26(29-31-19-24(32-29)10-4-8-20-6-2-1-3-7-20)16-21-12-14-22(15-13-21)27-18-28(35)34-41(27,38)39/h1-3,5-7,9,11-15,17,19,26-27,33H,4,8,10,16,18H2,(H,31,32)(H,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228013
PNG
(3-fluoro-N-{1-{(R)-5-[2-(3-methanesulfonyl-phenoxy...)
Show SMILES Cc1cc(CC(NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](CCOc3cccc(c3)S(C)(=O)=O)N2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C30H33FN4O8S3/c1-19-13-20(9-10-26(19)28-17-29(36)35-46(28,41)42)14-27(34-45(39,40)25-8-3-5-21(31)15-25)30-32-18-22(33-30)11-12-43-23-6-4-7-24(16-23)44(2,37)38/h3-10,13,15-16,22,27-28,34H,11-12,14,17-18H2,1-2H3,(H,32,33)(H,35,36)/t22-,27?,28?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13507
PNG
(Isothiazolidinone (IZD) deriv. 43 | N-[(1S)-1-(1H-...)
Show SMILES O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2C#N)S(=O)(=O)N1
Show InChI InChI=1S/C25H21N5O5S2/c26-15-17-12-16(10-11-19(17)23-14-24(31)30-37(23,34)35)13-22(25-27-20-8-4-5-9-21(20)28-25)29-36(32,33)18-6-2-1-3-7-18/h1-12,22-23,29H,13-14H2,(H,27,28)(H,30,31)/t22-,23?/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50228008
PNG
(2-[4-(2-{1-(3-fluoro-benzenesulfonylamino)-2-[3-me...)
Show SMILES Cc1cc(CC(NS(=O)(=O)c2cccc(F)c2)c2ncc(CCCCOc3cccc(O)c3C(O)=O)[nH]2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C32H33FN4O9S2/c1-19-14-20(11-12-24(19)28-17-29(39)37-48(28,44)45)15-25(36-47(42,43)23-8-4-6-21(33)16-23)31-34-18-22(35-31)7-2-3-13-46-27-10-5-9-26(38)30(27)32(40)41/h4-6,8-12,14,16,18,25,28,36,38H,2-3,7,13,15,17H2,1H3,(H,34,35)(H,37,39)(H,40,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189642
PNG
(CHEMBL210836 | N-(1S)-1-(1H-benzimidazol-2yl)-2-4-...)
Show SMILES O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1
Show InChI InChI=1S/C24H22N4O5S2/c29-23-15-22(35(32,33)28-23)17-12-10-16(11-13-17)14-21(24-25-19-8-4-5-9-20(19)26-24)27-34(30,31)18-6-2-1-3-7-18/h1-13,21-22,27H,14-15H2,(H2,25,26,28,29)/p-1/t21-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13508
PNG
(Isothiazolidinone (IZD) deriv. 44 | N-[(1S)-1-(1H-...)
Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C24H21FN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14269
PNG
((S)-isothiazolidinone | IZD deriv. 2 | N-[(1S)-1-(...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189640
PNG
(CHEMBL377989 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H2,26,27,29,30)/p-1/t22-,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14268
PNG
((2S)-N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-{4-[(5S...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H29N5O5S/c1-18(35)30-25(16-19-7-3-2-4-8-19)29(37)33-24(28-31-22-9-5-6-10-23(22)32-28)15-20-11-13-21(14-12-20)26-17-27(36)34-40(26,38)39/h2-14,24-26H,15-17H2,1H3,(H,30,35)(H,31,32)(H,33,37)(H,34,36)/t24-,25-,26-/m0/s1
PDB
MMDB

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

Similars

Article
PubMed
n/an/a 35n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM14268
PNG
((2S)-N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-{4-[(5S...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H29N5O5S/c1-18(35)30-25(16-19-7-3-2-4-8-19)29(37)33-24(28-31-22-9-5-6-10-23(22)32-28)15-20-11-13-21(14-12-20)26-17-27(36)34-40(26,38)39/h2-14,24-26H,15-17H2,1H3,(H,30,35)(H,31,32)(H,33,37)(H,34,36)/t24-,25-,26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228038
PNG
(3-fluoro-N-{1-[(R)-5-(2-fluoro-benzyl)-4,5-dihydro...)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)C1=NC[C@@H](Cc2ccccc2F)N1
Show InChI InChI=1S/C27H26F2N4O5S2/c28-20-5-3-6-22(14-20)39(35,36)32-24(27-30-16-21(31-27)13-19-4-1-2-7-23(19)29)12-17-8-10-18(11-9-17)25-15-26(34)33-40(25,37)38/h1-11,14,21,24-25,32H,12-13,15-16H2,(H,30,31)(H,33,34)/t21-,24?,25?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13493
PNG
(Isothiazolidinone (IZD) deriv. 29 | N-[(1S)-1-(1H-...)
Show SMILES FC(F)(F)c1cc(ccc1Br)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H20BrF3N4O5S2/c26-18-10-9-16(12-17(18)25(27,28)29)39(35,36)32-21(24-30-19-3-1-2-4-20(19)31-24)11-14-5-7-15(8-6-14)22-13-23(34)33-40(22,37)38/h1-10,12,21-22,32H,11,13H2,(H,30,31)(H,33,34)/t21-,22?/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13471
PNG
(({4-[(2S)-2-carbamoyl-2-[2-(1-{4-[difluoro(phospho...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)CNC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C21H23F4N3O9P2/c22-20(23,38(32,33)34)14-5-1-12(2-6-14)9-16(19(26)31)28-18(30)11-27-17(29)10-13-3-7-15(8-4-13)21(24,25)39(35,36)37/h1-8,16H,9-11H2,(H2,26,31)(H,27,29)(H,28,30)(H2,32,33,34)(H2,35,36,37)/t16-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50228024
PNG
(3-fluoro-N-{1-[5-(3-phenyl-propyl)-1H-imidazol-2-y...)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(CCCc2ccccc2)[nH]1
Show InChI InChI=1S/C29H29FN4O5S2/c30-23-9-5-11-25(17-23)40(36,37)33-26(29-31-19-24(32-29)10-4-8-20-6-2-1-3-7-20)16-21-12-14-22(15-13-21)27-18-28(35)34-41(27,38)39/h1-3,5-7,9,11-15,17,19,26-27,33H,4,8,10,16,18H2,(H,31,32)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189635
PNG
(CHEMBL424880 | N-((1S)-1-(1H-benzimidazol-2yl)-2-4...)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21FN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50189675
PNG
(CHEMBL436933 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H21F3N4O5S2/c26-25(27,28)17-4-3-5-18(13-17)38(34,35)31-21(24-29-19-6-1-2-7-20(19)30-24)12-15-8-10-16(11-9-15)22-14-23(33)32-39(22,36)37/h1-11,13,21-22,31H,12,14H2,(H,29,30)(H,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189649
PNG
(CHEMBL212260 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C25H21N5O5S2/c26-15-18-5-1-4-8-22(18)36(32,33)29-21(25-27-19-6-2-3-7-20(19)28-25)13-16-9-11-17(12-10-16)23-14-24(31)30-37(23,34)35/h1-12,21,23,29H,13-14H2,(H,27,28)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13470
PNG
(Difluoromethylphosphonic acid (DFMP) deriv. 9 | [(...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1
Show InChI InChI=1S/C27H28F4N2O8P2/c28-26(29,42(36,37)38)21-10-6-18(7-11-21)14-15-32-25(35)23(16-19-4-2-1-3-5-19)33-24(34)17-20-8-12-22(13-9-20)27(30,31)43(39,40)41/h1-13,23H,14-17H2,(H,32,35)(H,33,34)(H2,36,37,38)(H2,39,40,41)/t23-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228014
PNG
(2-[4-((R)-2-{1-(3-fluoro-benzenesulfonylamino)-2-[...)
Show SMILES Cc1cc(CC(NS(=O)(=O)c2cccc(F)c2)C2=NC[C@@H](CCCCOc3cccc(O)c3C(O)=O)N2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C32H35FN4O9S2/c1-19-14-20(11-12-24(19)28-17-29(39)37-48(28,44)45)15-25(36-47(42,43)23-8-4-6-21(33)16-23)31-34-18-22(35-31)7-2-3-13-46-27-10-5-9-26(38)30(27)32(40)41/h4-6,8-12,14,16,22,25,28,36,38H,2-3,7,13,15,17-18H2,1H3,(H,34,35)(H,37,39)(H,40,41)/t22-,25?,28?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228008
PNG
(2-[4-(2-{1-(3-fluoro-benzenesulfonylamino)-2-[3-me...)
Show SMILES Cc1cc(CC(NS(=O)(=O)c2cccc(F)c2)c2ncc(CCCCOc3cccc(O)c3C(O)=O)[nH]2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C32H33FN4O9S2/c1-19-14-20(11-12-24(19)28-17-29(39)37-48(28,44)45)15-25(36-47(42,43)23-8-4-6-21(33)16-23)31-34-18-22(35-31)7-2-3-13-46-27-10-5-9-26(38)30(27)32(40)41/h4-6,8-12,14,16,18,25,28,36,38H,2-3,7,13,15,17H2,1H3,(H,34,35)(H,37,39)(H,40,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189658
PNG
(CHEMBL377735 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O6S2/c1-35-18-5-4-6-19(14-18)36(31,32)28-22(25-26-20-7-2-3-8-21(20)27-25)13-16-9-11-17(12-10-16)23-15-24(30)29-37(23,33)34/h2-12,14,22-23,28H,13,15H2,1H3,(H,26,27)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189657
PNG
(CHEMBL208604 | N-(1S)-1-(1H-benzimidazol-2-yl)-2-{...)
Show SMILES Clc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C24H21ClN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H2,26,27,29,30)/p-1/t21-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228036
PNG
(CHEMBL253269 | N-{1-[5-(3-phenyl-propyl)-1H-imidaz...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(CCCc2ccccc2)[nH]1
Show InChI InChI=1S/C30H29F3N4O5S2/c31-30(32,33)23-9-5-11-25(17-23)43(39,40)36-26(29-34-19-24(35-29)10-4-8-20-6-2-1-3-7-20)16-21-12-14-22(15-13-21)27-18-28(38)37-44(27,41)42/h1-3,5-7,9,11-15,17,19,26-27,36H,4,8,10,16,18H2,(H,34,35)(H,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189688
PNG
(CHEMBL206950 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-10-17(26)12-18(11-16)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)9-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-8,10-12,21-22,29H,9,13H2,(H,27,28)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189655
PNG
(CHEMBL207489 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H21F3N4O5S2/c26-25(27,28)17-9-11-18(12-10-17)38(34,35)31-21(24-29-19-3-1-2-4-20(19)30-24)13-15-5-7-16(8-6-15)22-14-23(33)32-39(22,36)37/h1-12,21-22,31H,13-14H2,(H,29,30)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13494
PNG
(Isothiazolidinone (IZD) deriv. 30 | N-[(1S)-1-(1H-...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-10-17(26)12-18(11-16)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)9-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-8,10-12,21-22,29H,9,13H2,(H,27,28)(H,30,31)/t21-,22?/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50228036
PNG
(CHEMBL253269 | N-{1-[5-(3-phenyl-propyl)-1H-imidaz...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1ncc(CCCc2ccccc2)[nH]1
Show InChI InChI=1S/C30H29F3N4O5S2/c31-30(32,33)23-9-5-11-25(17-23)43(39,40)36-26(29-34-19-24(35-29)10-4-8-20-6-2-1-3-7-20)16-21-12-14-22(15-13-21)27-18-28(38)37-44(27,41)42/h1-3,5-7,9,11-15,17,19,26-27,36H,4,8,10,16,18H2,(H,34,35)(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189647
PNG
(CHEMBL264833 | biphenyl-4-sulfonic acid {1-(5-cyan...)
Show SMILES O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)c3nc4ccc(cc4[nH]3)C#N)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C31H25N5O5S2/c32-19-21-8-15-26-27(17-21)34-31(33-26)28(16-20-6-9-24(10-7-20)29-18-30(37)36-43(29,40)41)35-42(38,39)25-13-11-23(12-14-25)22-4-2-1-3-5-22/h1-15,17,28-29,35H,16,18H2,(H,33,34)(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13475
PNG
(Isothiazolidinone (IZD) deriv. 4 | N-[(1S)-1-(1H-1...)
Show SMILES CN1CCOc2cc(ccc12)S(=O)(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H27N5O6S2/c1-32-12-13-38-24-15-19(10-11-23(24)32)39(34,35)30-22(27-28-20-4-2-3-5-21(20)29-27)14-17-6-8-18(9-7-17)25-16-26(33)31-40(25,36)37/h2-11,15,22,25,30H,12-14,16H2,1H3,(H,28,29)(H,31,33)/t22-,25-/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 59n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13509
PNG
(Isothiazolidinone (IZD) deriv. 45 | N-[(1S)-1-(1H-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)/t22-,23?/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189648
PNG
(CHEMBL212147 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21ClN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228032
PNG
(CHEMBL403908 | N-{1-(5-phenyl-1H-imidazol-2-yl)-2-...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H23F3N4O5S2/c28-27(29,30)20-7-4-8-21(14-20)40(36,37)33-22(26-31-16-23(32-26)18-5-2-1-3-6-18)13-17-9-11-19(12-10-17)24-15-25(35)34-41(24,38)39/h1-12,14,16,22,24,33H,13,15H2,(H,31,32)(H,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189673
PNG
(CHEMBL383437 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(cc3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C25H21N5O5S2/c26-15-17-7-11-19(12-8-17)36(32,33)29-22(25-27-20-3-1-2-4-21(20)28-25)13-16-5-9-18(10-6-16)23-14-24(31)30-37(23,34)35/h1-12,22-23,29H,13-14H2,(H,27,28)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50228038
PNG
(3-fluoro-N-{1-[(R)-5-(2-fluoro-benzyl)-4,5-dihydro...)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)C1=NC[C@@H](Cc2ccccc2F)N1
Show InChI InChI=1S/C27H26F2N4O5S2/c28-20-5-3-6-22(14-20)39(35,36)32-24(27-30-16-21(31-27)13-19-4-1-2-7-23(19)29)12-17-8-10-18(11-9-17)25-15-26(34)33-40(25,37)38/h1-11,14,21,24-25,32H,12-13,15-16H2,(H,30,31)(H,33,34)/t21-,24?,25?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228025
PNG
(2-[4-((R)-2-{1-(3-fluoro-benzenesulfonylamino)-2-[...)
Show SMILES COC(=O)c1c(O)cccc1OCCCC[C@@H]1CN=C(N1)C(Cc1ccc(C2CC(=O)NS2(=O)=O)c(C)c1)NS(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C33H37FN4O9S2/c1-20-15-21(12-13-25(20)29-18-30(40)38-49(29,44)45)16-26(37-48(42,43)24-9-5-7-22(34)17-24)32-35-19-23(36-32)8-3-4-14-47-28-11-6-10-27(39)31(28)33(41)46-2/h5-7,9-13,15,17,23,26,29,37,39H,3-4,8,14,16,18-19H2,1-2H3,(H,35,36)(H,38,40)/t23-,26?,29?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13809
PNG
((2S)-N-[(1S)-1-carbamoyl-2-[4-(1,1,3-trioxo-2,3-di...)
Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O
Show InChI InChI=1S/C32H29N5O9S2/c33-31(41)24(14-20-6-10-22(11-7-20)26-17-29(39)36-47(26,43)44)35-32(42)25(15-19-4-2-1-3-5-19)34-28(38)16-21-8-12-23(13-9-21)27-18-30(40)37-48(27,45)46/h1-13,17-18,24-25H,14-16H2,(H2,33,41)(H,34,38)(H,35,42)(H,36,39)(H,37,40)/t24-,25-/m0/s1
PDB
MMDB

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

Patents


Similars

PDB
Article
PubMed
n/an/a 65n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 32784-95 (2006)


Article DOI: 10.1074/jbc.M606873200
BindingDB Entry DOI: 10.7270/Q2GX48SD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13495
PNG
(Isothiazolidinone (IZD) deriv. 31 | N-[(1S)-1-(1H-...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21FN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)/t21-,22?/m0/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189675
PNG
(CHEMBL436933 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H21F3N4O5S2/c26-25(27,28)17-4-3-5-18(13-17)38(34,35)31-21(24-29-19-6-1-2-7-20(19)30-24)12-15-8-10-16(11-9-15)22-14-23(33)32-39(22,36)37/h1-11,13,21-22,31H,12,14H2,(H,29,30)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189675
PNG
(CHEMBL436933 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H21F3N4O5S2/c26-25(27,28)17-4-3-5-18(13-17)38(34,35)31-21(24-29-19-6-1-2-7-20(19)30-24)12-15-8-10-16(11-9-15)22-14-23(33)32-39(22,36)37/h1-11,13,21-22,31H,12,14H2,(H,29,30)(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
T-cell protein-tyrosine phosphatase


(Homo sapiens (Human))
BDBM50228039
PNG
(3-fluoro-N-{1-((R)-5-phenethyl-4,5-dihydro-1H-imid...)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)C1=NC[C@@H](CCc2ccccc2)N1
Show InChI InChI=1S/C28H29FN4O5S2/c29-22-7-4-8-24(16-22)39(35,36)32-25(28-30-18-23(31-28)14-11-19-5-2-1-3-6-19)15-20-9-12-21(13-10-20)26-17-27(34)33-40(26,37)38/h1-10,12-13,16,23,25-26,32H,11,14-15,17-18H2,(H,30,31)(H,33,34)/t23-,25?,26?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP by pNPP assay


Bioorg Med Chem Lett 18: 66-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.012
BindingDB Entry DOI: 10.7270/Q2BV7GCQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 214 total )  |  Next  |  Last  >>
Jump to: