BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3696 hits Enz. Inhib. hit(s) with Target = 'Protein tyrosine phosphatase 1B (PTP1B)'   
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))
BDBM226157
PNG
(PTP1B spring 7 (7))
Show SMILES COc1ccc(-c2ccc(O)cc2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1
Show InChI InChI=1S/C34H26O5/c1-39-32-21-20-30(23-5-13-27(36)14-6-23)34(31(32)19-4-22-2-11-26(35)12-3-22)33(24-7-15-28(37)16-8-24)25-9-17-29(38)18-10-25/h2-3,5-18,20-21,33,35-38H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
3.00E+3 -32.8 4.80E+3n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM226153
PNG
(Selaginellin U (2))
Show SMILES Cc1ccc(-c2ccc(O)cc2)c(C(=C2C=CC(=O)C=C2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1
Show InChI InChI=1S/C34H24O4/c1-22-2-20-32(24-6-14-28(36)15-7-24)34(31(22)21-5-23-3-12-27(35)13-4-23)33(25-8-16-29(37)17-9-25)26-10-18-30(38)19-11-26/h2-4,6-20,35-37H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
9.70E+3 -29.8 1.38E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM226155
PNG
(Selaginellin W (4))
Show SMILES Oc1ccc(cc1)C#Cc1cccc(-c2ccc(O)cc2O)c1C(=C1C=CC(=O)C=C1)c1ccc(O)cc1
Show InChI InChI=1S/C33H22O5/c34-25-12-5-21(6-13-25)4-7-22-2-1-3-30(29-19-18-28(37)20-31(29)38)33(22)32(23-8-14-26(35)15-9-23)24-10-16-27(36)17-11-24/h1-3,5-6,8-20,34-35,37-38H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.11E+4 -29.4 1.46E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM226154
PNG
(Selaginellin V (3))
Show SMILES COc1cc(ccc1O)C#Cc1c(CO)ccc(-c2ccc(O)cc2)c1C(=C1C=CC(=O)C=C1)c1ccc(O)cc1
Show InChI InChI=1S/C35H26O6/c1-41-33-20-22(3-19-32(33)40)2-17-31-26(21-36)10-18-30(23-4-11-27(37)12-5-23)35(31)34(24-6-13-28(38)14-7-24)25-8-15-29(39)16-9-25/h3-16,18-20,36-38,40H,21H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.13E+4 -29.4 1.45E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM226156
PNG
(PTP1B spring 5 (5))
Show SMILES OCc1ccc(-c2ccc(O)cc2O)c(C(=C2C=CC(=O)C=C2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1
Show InChI InChI=1S/C34H24O6/c35-20-24-8-17-31(30-18-15-28(39)19-32(30)40)34(29(24)16-3-21-1-9-25(36)10-2-21)33(22-4-11-26(37)12-5-22)23-6-13-27(38)14-7-23/h1-2,4-15,17-19,35-37,39-40H,20H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.39E+4 -28.8 1.59E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50093523
PNG
(CHEMBL3585679 | PTP1B spring 6 (6))
Show SMILES OCc1ccc(-c2ccc(O)cc2)c(C(O)=O)c1C#Cc1ccc(O)cc1
Show InChI InChI=1S/C22H16O5/c23-13-16-6-12-19(15-4-9-18(25)10-5-15)21(22(26)27)20(16)11-3-14-1-7-17(24)8-2-14/h1-2,4-10,12,23-25H,13H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

1.45E+4 -28.7 1.32E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84581
PNG
(Thioxothiazolidinone derivative, 1)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/a6.025



McGill University



Assay Description
PTP assay were conducted at 25 C in 96-well plates. Reaction rates were determined using a Variokan plate reader from Thermo Electron. For assay pH...


Chembiochem 8: 179-86 (2007)


Article DOI: 10.1002/cbic.200600287
BindingDB Entry DOI: 10.7270/Q2T72FZ5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 4.50E+3n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM226152
PNG
(Selaginellin T (1))
Show SMILES Oc1ccc(cc1)C#Cc1cccc(-c2ccc(O)cc2)c1C(=C1C=CC(=O)C=C1)c1ccc(O)cc1
Show InChI InChI=1S/C33H22O4/c34-27-14-5-22(6-15-27)4-7-24-2-1-3-31(23-8-16-28(35)17-9-23)33(24)32(25-10-18-29(36)19-11-25)26-12-20-30(37)21-13-26/h1-3,5-6,8-21,34-36H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.80E+4n/an/an/an/a6.037



Catholic University of Daegu



Assay Description
In each 96-well plates (total 200 μL of volume), there were 2 mM p-NPP and PTP1B (0.05-0.1 μg) in a buffer containing 50 mM citrate (pH 6.0...


Bioorg Chem 72: 273-281 (2017)


BindingDB Entry DOI: 10.7270/Q2ZP450S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243052
PNG
(PTP inhibitor, 4d)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1Cl
Show InChI InChI=1S/C15H11ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+4n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243051
PNG
(PTP inhibitor, 4c)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C15H11FO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.66E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243050
PNG
(PTP inhibitor, 4b)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(F)c1
Show InChI InChI=1S/C15H11FO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.98E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243049
PNG
(PTP inhibitor, 4a)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1F
Show InChI InChI=1S/C15H11FO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.06E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243053
PNG
(PTP inhibitor, 4e)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.18E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243054
PNG
(PTP inhibitor, 4f)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243055
PNG
(PTP inhibitor, 4g)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H10Cl2O4/c16-7-1-2-9(10(17)3-7)13-6-12(20)15-11(19)4-8(18)5-14(15)21-13/h1-5,13,18-19H,6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243056
PNG
(PTP inhibitor, 4h)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1Br
Show InChI InChI=1S/C15H11BrO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243057
PNG
(PTP inhibitor, 4i)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(Br)c1
Show InChI InChI=1S/C15H11BrO4/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.33E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243058
PNG
(PTP inhibitor, 4j)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,17-18H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.48E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243059
PNG
(PTP inhibitor, 4k)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H11F3O4/c17-16(18,19)9-3-1-2-8(4-9)13-7-12(22)15-11(21)5-10(20)6-14(15)23-13/h1-6,13,20-21H,7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.37E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243060
PNG
(PTP inhibitor, 4l)
Show SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccccc1
Show InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.67E+4n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243062
PNG
(PTP inhibitor, 4n)
Show SMILES COc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.31E+4n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM243061
PNG
(PTP inhibitor, 4m)
Show SMILES Cc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-7,14,17-18H,8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.41E+4n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM23197
PNG
((1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50166435
PNG
(5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...)
Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)
PDB

GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.40E+3n/a 4.80E+3n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93118
PNG
(PTP1B Inhibitor, 19)
Show SMILES CC(=O)Oc1ccc(C2=NOC(C2)c2ccccc2)c(OC(C)=O)c1
Show InChI InChI=1S/C19H17NO5/c1-12(21)23-15-8-9-16(19(10-15)24-13(2)22)17-11-18(25-20-17)14-6-4-3-5-7-14/h3-10,18H,11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
2.50E+4n/a 6.27E+4n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223197
PNG
(2-Bromo-N-[3'-(1,1-dioxido-4-oxo-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccc(NC(=O)CBr)cc1
Show InChI InChI=1S/C17H16BrN3O4S/c1-11-2-3-13(8-15(11)21-10-17(23)20-26(21,24)25)12-4-6-14(7-5-12)19-16(22)9-18/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.70E+4n/a 5.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93109
PNG
(PTP1B Inhibitor, 5)
Show SMILES COc1c(ccc2OC(C)(C)C=Cc12)C1=NOC(C1)c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-21(2)12-11-16-18(24-21)10-9-15(20(16)23-3)17-13-19(25-22-17)14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

3.00E+4n/a 7.00E+4n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223198
PNG
(N-[3'-(1,1-Dioxido-4-oxo-1,2,5-thiadiazolidin-...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(C)c(c1)N1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-11-3-4-14(13-5-7-15(8-6-13)18-12(2)21)9-16(11)20-10-17(22)19-25(20,23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20E+4n/a 6.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93111
PNG
(PTP1B Inhibitor, 7)
Show SMILES COc1c(ccc2OC(C)(C)C=Cc12)C1=NOC(C1)c1ccccn1
Show InChI InChI=1S/C20H20N2O3/c1-20(2)10-9-14-17(24-20)8-7-13(19(14)23-3)16-12-18(25-22-16)15-6-4-5-11-21-15/h4-11,18H,12H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
3.40E+4n/a 8.70E+4n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM223199
PNG
(5-(4-Methyl[1,1'-biphenyl]-3-yl)-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O3S/c1-11-7-8-13(12-5-3-2-4-6-12)9-14(11)17-10-15(18)16-21(17,19)20/h2-9H,10H2,1H3,(H,16,18)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.85E+4n/a 7.70E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...


Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93113
PNG
(PTP1B Inhibitor, 11)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc(C=O)cc1OC
Show InChI InChI=1S/C18H17NO4/c1-21-14-6-4-13(5-7-14)17-10-16(19-23-17)15-8-3-12(11-20)9-18(15)22-2/h3-9,11,17H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.80E+4n/a 6.70E+4n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93112
PNG
(PTP1B Inhibitor, 10)
Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)c1ccccc1
Show InChI InChI=1S/C17H15NO3/c1-20-17-9-12(11-19)7-8-14(17)15-10-16(21-18-15)13-5-3-2-4-6-13/h2-9,11,16H,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.80E+4n/a 6.90E+4n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93110
PNG
(PTP1B Inhibitor, 6)
Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2OC(C)(C)C=Cc2c1OC
Show InChI InChI=1S/C22H23NO4/c1-22(2)12-11-17-19(26-22)10-9-16(21(17)25-4)18-13-20(27-23-18)14-5-7-15(24-3)8-6-14/h5-12,20H,13H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

5.60E+4n/a 9.10E+4n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93116
PNG
(PTP1B Inhibitor, 14)
Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)n1ccnc1
Show InChI InChI=1S/C14H13N3O3/c1-19-13-6-10(8-18)2-3-11(13)12-7-14(20-16-12)17-5-4-15-9-17/h2-6,8-9,14H,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
6.30E+4n/a 8.80E+4n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93117
PNG
(PTP1B Inhibitor, 15)
Show SMILES COC(=O)C1C(ON=C1c1ccc(C=O)cc1OC)c1ccccc1
Show InChI InChI=1S/C19H17NO5/c1-23-15-10-12(11-21)8-9-14(15)17-16(19(22)24-2)18(25-20-17)13-6-4-3-5-7-13/h3-11,16,18H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.35E+5n/a 1.65E+5n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93115
PNG
(PTP1B Inhibitor, 13)
Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)c1ccncc1
Show InChI InChI=1S/C16H14N2O3/c1-20-16-8-11(10-19)2-3-13(16)14-9-15(21-18-14)12-4-6-17-7-5-12/h2-8,10,15H,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.50E+5n/a 2.75E+5n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM93114
PNG
(PTP1B Inhibitor, 12)
Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)c1ccccn1
Show InChI InChI=1S/C16H14N2O3/c1-20-15-8-11(10-19)5-6-12(15)14-9-16(21-18-14)13-4-2-3-7-17-13/h2-8,10,16H,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.70E+5n/a 4.85E+5n/an/an/an/a7.0n/a



Central Drug Research Institute,



Assay Description
The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...


Medicinal Chemistry Research 17: 123-136 (2008)


BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM231697
PNG
(RR601)
Show SMILES Oc1cc(cc2c(cccc12)\N=N\c1cccc2c(O)cc(cc12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C20H14N2O8S2/c23-19-9-11(31(25,26)27)7-15-13(19)3-1-5-17(15)21-22-18-6-2-4-14-16(18)8-12(10-20(14)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)/b22-21+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/a7.025



Concordia University of Wisconsin



Assay Description
Assays with and without inhibitor were performed in Corning 96-well clear bottom plates having a nonbinding surface, with a total assay volume of 200...


BMC Biochem 18: 10 (2017)


Article DOI: 10.1186/s12858-017-0083-3
BindingDB Entry DOI: 10.7270/Q2JW8CSF
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84581
PNG
(Thioxothiazolidinone derivative, 1)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/a7.025



McGill University



Assay Description
PTP assay were conducted at 25 C in 96-well plates. Reaction rates were determined using a Variokan plate reader from Thermo Electron. For assay pH...


Chembiochem 8: 179-86 (2007)


Article DOI: 10.1002/cbic.200600287
BindingDB Entry DOI: 10.7270/Q2T72FZ5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84509
PNG
(Acyclic analogue, 15)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)s1
Show InChI InChI=1S/C25H30N2OS/c1-4-6-8-10-11-19-13-14-20(26-19)17-22-24(28-3)18-23(27-22)25-16-15-21(29-25)12-9-7-5-2/h4-5,13-18,26H,1-2,6-12H2,3H3/b22-17-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84511
PNG
(Acyclic analogue, 16)
Show SMILES COC1=CC(=O)N\C1=C/c1ccc(CCCCC=C)[nH]1
Show InChI InChI=1S/C16H20N2O2/c1-3-4-5-6-7-12-8-9-13(17-12)10-14-15(20-2)11-16(19)18-14/h3,8-11,17H,1,4-7H2,2H3,(H,18,19)/b14-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84510
PNG
(Acyclic analogue, 17)
Show SMILES CCc1ccc(\C=C2/NC(=O)C=C2OC)[nH]1
Show InChI InChI=1S/C12H14N2O2/c1-3-8-4-5-9(13-8)6-10-11(16-2)7-12(15)14-10/h4-7,13H,3H2,1-2H3,(H,14,15)/b10-6-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84512
PNG
(Acyclic analogue, 18)
Show SMILES COC1=CC(=O)N\C1=C/c1ccc(CCCC\C=C\CCCCC(O)=O)[nH]1
Show InChI InChI=1S/C21H28N2O4/c1-27-19-15-20(24)23-18(19)14-17-13-12-16(22-17)10-8-6-4-2-3-5-7-9-11-21(25)26/h2-3,12-15,22H,4-11H2,1H3,(H,23,24)(H,25,26)/b3-2+,18-14-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84495
PNG
(CHEMBL1945189 | Roseophilin, 1)
Show SMILES COc1cc(oc1C1=c2[nH]c3=CCCCCCCC[C@@H]1[C@@H](C(C)C)c2c3)-c1[nH]ccc1Cl
Show InChI InChI=1S/C27H31ClN2O2/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26/h10,12-16,18,23H,4-9,11H2,1-3H3/b17-10?,26-21-,27-24-/t18-,23-/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 3.80E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84496
PNG
(Roseophilin, 2)
Show SMILES COc1cc(oc1C1=c2[nH]c3=CCCCCCCC[C@H]1[C@H](C(C)C)c2c3)-c1[nH]ccc1Cl
Show InChI InChI=1S/C27H31ClN2O2/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26/h10,12-16,18,23H,4-9,11H2,1-3H3/b17-10?,26-21-,27-24-/t18-,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84497
PNG
(Roseophilin analogue, 3)
Show SMILES CC(C)[C@@H]1[C@H]2CCCCCCCC=c3cc1c([nH]3)=C2c1ccc(o1)-c1ccc[nH]1
Show InChI InChI=1S/C26H30N2O/c1-17(2)24-19-11-8-6-4-3-5-7-10-18-16-20(24)26(28-18)25(19)23-14-13-22(29-23)21-12-9-15-27-21/h9-10,12-17,19,24H,3-8,11H2,1-2H3/b18-10?,22-21-,25-23-/t19-,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84508
PNG
(Acyclic analogue, 14)
Show SMILES CCc1ccc(\C=C2/N=C(C=C2OC)c2ccc[nH]2)[nH]1
Show InChI InChI=1S/C16H15N3O/c1-3-11-6-7-12(18-11)9-15-16(20-2)10-14(19-15)13-5-4-8-17-13/h4-10H,3H2,1-2H3/b12-9-,14-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84507
PNG
(Acyclic analogue, 13)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc[nH]1
Show InChI InChI=1S/C20H21N3O/c1-3-4-5-6-8-15-10-11-16(22-15)13-19-20(24-2)14-18(23-19)17-9-7-12-21-17/h3,7,9-14H,1,4-6,8H2,2H3/b16-13-,18-17-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM84506
PNG
(Acyclic analogue, 12)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc([nH]1)C(\C)=C/CC=C
Show InChI InChI=1S/C26H29N3O/c1-5-7-9-10-12-20-13-14-21(27-20)17-25-26(30-4)18-24(29-25)23-16-15-22(28-23)19(3)11-8-6-2/h5-6,11,13-18H,1-2,7-10,12H2,3-4H3/b19-11-,21-17-,24-23-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 3696 total )  |  Next  |  Last  >>
Jump to: