BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'yang' and Initial = 'sd'   
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
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150870
PNG
(6-{2-[2-((S)-5-Cyano-pyrazolidin-1-yl)-2-oxo-ethyl...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1NCC[C@H]1C#N
Show InChI InChI=1S/C14H17N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,9,12,17,20H,3-6,10H2,(H,18,19)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50150851
PNG
(2-((R)-2-Amino-3-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CCC(C)[C@@H](N)C(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-3-7(2)9(12)10(15)14-8(6-11)4-5-13-14/h5,7-9H,3-4,12H2,1-2H3/t7?,8?,9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against cdc25B phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50150851
PNG
(2-((R)-2-Amino-3-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CCC(C)[C@@H](N)C(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-3-7(2)9(12)10(15)14-8(6-11)4-5-13-14/h5,7-9H,3-4,12H2,1-2H3/t7?,8?,9-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
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/an/a 140n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human PTP1B


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50150858
PNG
(6-{2-[2-((S)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
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/an/a 220n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein phosphatase 1


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150851
PNG
(2-((R)-2-Amino-3-methyl-pentanoyl)-3,4-dihydro-2H-...)
Show SMILES CCC(C)[C@@H](N)C(=O)N1N=CCC1C#N |c:9|
Show InChI InChI=1S/C10H16N4O/c1-3-7(2)9(12)10(15)14-8(6-11)4-5-13-14/h5,7-9H,3-4,12H2,1-2H3/t7?,8?,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50177324
PNG
(2-(4-(7-pentadecanoylcyclopenta[d][1,2]oxazin-4-yl...)
Show SMILES CCCCCCCCCCCCCCC(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C30H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-28(32)25-19-20-26-27(25)21-36-31-30(26)23-15-17-24(18-16-23)35-22-29(33)34/h15-21H,2-14,22H2,1H3,(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/an/a 270n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human PTP1B


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115725
PNG
(3-(1-Indol-1-yl-3,4-dioxo-3,4-dihydro-naphthalen-2...)
Show SMILES CCOC(=O)CCC1=C(c2ccccc2C(=O)C1=O)n1ccc2ccccc12 |t:7|
Show InChI InChI=1S/C23H19NO4/c1-2-28-20(25)12-11-18-21(24-14-13-15-7-3-6-10-19(15)24)16-8-4-5-9-17(16)22(26)23(18)27/h3-10,13-14H,2,11-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 270n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115722
PNG
(4-Cyclohexyl-[1,2]naphthoquinone | CHEMBL58737)
Show SMILES O=C1C=C(C2CCCCC2)c2ccccc2C1=O |t:2|
Show InChI InChI=1S/C16H16O2/c17-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)18/h4-5,8-11H,1-3,6-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 320n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115756
PNG
(3-(5,6-Dioxo-8-phenyl-5,6-dihydro-naphthalen-2-yl)...)
Show SMILES COC(=O)CCc1ccc2C(=O)C(=O)C=C(c3ccccc3)c2c1 |t:14|
Show InChI InChI=1S/C20H16O4/c1-24-19(22)10-8-13-7-9-15-17(11-13)16(12-18(21)20(15)23)14-5-3-2-4-6-14/h2-7,9,11-12H,8,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 330n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150858
PNG
(6-{2-[2-((S)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115733
PNG
(3-(3,4-Dioxo-1-phenyl-3,4-dihydro-naphthalen-2-yl)...)
Show SMILES CCOC(=O)CCC1=C(c2ccccc2)c2ccccc2C(=O)C1=O |c:7|
Show InChI InChI=1S/C21H18O4/c1-2-25-18(22)13-12-17-19(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(23)21(17)24/h3-11H,2,12-13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 430n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50150858
PNG
(6-{2-[2-((S)-5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-o...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CC[C@H]1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115766
PNG
(4-(4-Hydroxy-phenyl)-[1,2]naphthoquinone | CHEMBL5...)
Show SMILES Oc1ccc(cc1)C1=CC(=O)C(=O)c2ccccc12 |t:8|
Show InChI InChI=1S/C16H10O3/c17-11-7-5-10(6-8-11)14-9-15(18)16(19)13-4-2-1-3-12(13)14/h1-9,17H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 440n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115760
PNG
(4-(2,5-Difluoro-phenyl)-[1,2]naphthoquinone | CHEM...)
Show SMILES Fc1ccc(F)c(c1)C1=CC(=O)C(=O)c2ccccc12 |t:9|
Show InChI InChI=1S/C16H8F2O2/c17-9-5-6-14(18)13(7-9)12-8-15(19)16(20)11-4-2-1-3-10(11)12/h1-8H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against YOP protein tyrosine phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115721
PNG
(3-(3,4-Dioxo-1-phenyl-3,4-dihydro-naphthalen-2-yl)...)
Show SMILES CCN(CC)C(=O)CCC1=C(c2ccccc2)c2ccccc2C(=O)C1=O |c:9|
Show InChI InChI=1S/C23H23NO3/c1-3-24(4-2)20(25)15-14-19-21(16-10-6-5-7-11-16)17-12-8-9-13-18(17)22(26)23(19)27/h5-13H,3-4,14-15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 610n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115740
PNG
((7,8-Dioxo-5-phenyl-7,8-dihydro-naphthalen-1-yl)-c...)
Show SMILES CCOC(=O)Nc1cccc2C(=CC(=O)C(=O)c12)c1ccccc1 |c:11|
Show InChI InChI=1S/C19H15NO4/c1-2-24-19(23)20-15-10-6-9-13-14(12-7-4-3-5-8-12)11-16(21)18(22)17(13)15/h3-11H,2H2,1H3,(H,20,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 650n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115739
PNG
(CHEMBL56948 | [4-(1-Indol-1-yl-3,4-dioxo-3,4-dihyd...)
Show SMILES CC(C)(C)OC(=O)COc1ccc(CC2=C(c3ccccc3C(=O)C2=O)n2ccc3ccccc23)cc1 |t:14|
Show InChI InChI=1S/C31H27NO5/c1-31(2,3)37-27(33)19-36-22-14-12-20(13-15-22)18-25-28(32-17-16-21-8-4-7-11-26(21)32)23-9-5-6-10-24(23)29(34)30(25)35/h4-17H,18-19H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 650n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150860
PNG
(CHEMBL361656 | [(S)-5-Amino-1-(5-cyano-4,5-dihydro...)
Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1N=CCC1C#N |c:21|
Show InChI InChI=1S/C18H23N5O3/c19-10-5-4-8-16(17(24)23-15(12-20)9-11-21-23)22-18(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,11,15-16H,4-5,8-10,13,19H2,(H,22,25)/t15?,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115746
PNG
(3-[7-(2-Methoxycarbonyl-ethyl)-3,4-dioxo-1-phenyl-...)
Show SMILES COC(=O)CCC1=C(c2ccccc2)c2cc(CCC(=O)OC)ccc2C(=O)C1=O |c:6|
Show InChI InChI=1S/C24H22O6/c1-29-20(25)12-9-15-8-10-17-19(14-15)22(16-6-4-3-5-7-16)18(24(28)23(17)27)11-13-21(26)30-2/h3-8,10,14H,9,11-13H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 680n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F


(Homo sapiens (Human))
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against LAR protein tyrosine phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50177317
PNG
(2-(4-(7-(4-methoxybenzoyl)cyclopenta[d][1,2]oxazin...)
Show SMILES COc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H17NO6/c1-28-16-6-4-15(5-7-16)23(27)19-11-10-18-20(19)12-30-24-22(18)14-2-8-17(9-3-14)29-13-21(25)26/h2-12H,13H2,1H3,(H,25,26)
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/an/a 800n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human PTP1B


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50099778
PNG
(4-Phenyl-[1,2]naphthoquinone | CHEMBL51447)
Show SMILES O=C1C=C(c2ccccc2)c2ccccc2C1=O |t:2|
Show InChI InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)18/h1-10H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 840n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against recombinant human CD45 using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50099778
PNG
(4-Phenyl-[1,2]naphthoquinone | CHEMBL51447)
Show SMILES O=C1C=C(c2ccccc2)c2ccccc2C1=O |t:2|
Show InChI InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)18/h1-10H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 860n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115763
PNG
(7-Pentyloxy-4-phenyl-[1,2]naphthoquinone | CHEMBL5...)
Show SMILES CCCCCOc1ccc2C(=CC(=O)C(=O)c2c1)c1ccccc1 |c:10|
Show InChI InChI=1S/C21H20O3/c1-2-3-7-12-24-16-10-11-17-18(15-8-5-4-6-9-15)14-20(22)21(23)19(17)13-16/h4-6,8-11,13-14H,2-3,7,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 920n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115755
PNG
(3-(8-Indol-1-yl-5,6-dioxo-5,6-dihydro-naphthalen-2...)
Show SMILES COC(=O)CCc1ccc2C(=O)C(=O)C=C(c2c1)n1ccc2ccccc12 |c:14|
Show InChI InChI=1S/C22H17NO4/c1-27-21(25)9-7-14-6-8-16-17(12-14)19(13-20(24)22(16)26)23-11-10-15-4-2-3-5-18(15)23/h2-6,8,10-13H,7,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 920n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115751
PNG
(3-[1-Indol-1-yl-6-(2-methoxycarbonyl-ethyl)-3,4-di...)
Show SMILES COC(=O)CCC1=C(c2ccc(CCC(=O)OC)cc2C(=O)C1=O)n1ccc2ccccc12 |t:6|
Show InChI InChI=1S/C26H23NO6/c1-32-22(28)11-8-16-7-9-18-20(15-16)26(31)25(30)19(10-12-23(29)33-2)24(18)27-14-13-17-5-3-4-6-21(17)27/h3-7,9,13-15H,8,10-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 940n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Sus scrofa (pig))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 960n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115728
PNG
(CHEMBL57841 | [4-(1-Indol-1-yl-3,4-dioxo-3,4-dihyd...)
Show SMILES OC(=O)COc1ccc(CC2=C(c3ccccc3C(=O)C2=O)n2ccc3ccccc23)cc1 |t:10|
Show InChI InChI=1S/C27H19NO5/c29-24(30)16-33-19-11-9-17(10-12-19)15-22-25(28-14-13-18-5-1-4-8-23(18)28)20-6-2-3-7-21(20)26(31)27(22)32/h1-14H,15-16H2,(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

PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115761
PNG
(4-[2-(3,4-Dioxo-1-phenyl-3,4-dihydro-naphthalen-2-...)
Show SMILES CCOC(=O)c1ccc(CCC2=C(c3ccccc3)c3ccccc3C(=O)C2=O)cc1 |c:11|
Show InChI InChI=1S/C27H22O4/c1-2-31-27(30)20-15-12-18(13-16-20)14-17-23-24(19-8-4-3-5-9-19)21-10-6-7-11-22(21)25(28)26(23)29/h3-13,15-16H,2,14,17H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115729
PNG
(CHEMBL292843 | [4-(3,4-Dioxo-3,4-dihydro-naphthale...)
Show SMILES CCOC(=O)COc1ccc(cc1)C1=CC(=O)C(=O)c2ccccc12 |t:14|
Show InChI InChI=1S/C20H16O5/c1-2-24-19(22)12-25-14-9-7-13(8-10-14)17-11-18(21)20(23)16-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115737
PNG
(4-(1H-Indol-3-yl)-[1,2]naphthoquinone | CHEMBL6070...)
Show SMILES O=C1C=C(c2c[nH]c3ccccc23)c2ccccc2C1=O |t:2|
Show InChI InChI=1S/C18H11NO2/c20-17-9-14(11-5-1-2-7-13(11)18(17)21)15-10-19-16-8-4-3-6-12(15)16/h1-10,19H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115727
PNG
(4-(2-Nitro-phenyl)-[1,2]naphthoquinone | CHEMBL592...)
Show SMILES [O-][N+](=O)c1ccccc1C1=CC(=O)C(=O)c2ccccc12 |t:10|
Show InChI InChI=1S/C16H9NO4/c18-15-9-13(10-5-1-2-7-12(10)16(15)19)11-6-3-4-8-14(11)17(20)21/h1-9H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50177316
PNG
(2-(4-(7-(4-(aminomethyl)benzoyl)cyclopenta[d][1,2]...)
Show SMILES NCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H18N2O5/c24-11-14-1-3-16(4-2-14)23(28)19-10-9-18-20(19)12-30-25-22(18)15-5-7-17(8-6-15)29-13-21(26)27/h1-10,12H,11,13,24H2,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against YOP protein tyrosine phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150865
PNG
(2-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...)
Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2N=CCC2C#N)nc1 |c:15|
Show InChI InChI=1S/C13H15N7O3/c14-7-10-3-4-18-19(10)13(21)9-15-5-6-16-12-2-1-11(8-17-12)20(22)23/h1-2,4,8,10,15H,3,5-6,9H2,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150862
PNG
(2-((R)-2-Amino-propionyl)-3,4-dihydro-2H-pyrazole-...)
Show SMILES C[C@@H](N)C(=O)N1N=CCC1C#N |c:6|
Show InChI InChI=1S/C7H10N4O/c1-5(9)7(12)11-6(4-8)2-3-10-11/h3,5-6H,2,9H2,1H3/t5-,6?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150866
PNG
(2-{2-[4-(5-Nitro-pyridin-2-ylamino)-cyclohexylamin...)
Show SMILES [O-][N+](=O)c1ccc(NC2CCC(CC2)NCC(=O)N2N=CCC2C#N)nc1 |c:20,(-9.6,.58,;-8.34,-.26,;-8.45,-1.81,;-6.97,.4,;-6.83,1.93,;-5.48,2.6,;-4.2,1.74,;-2.81,2.41,;-1.55,1.53,;-1.65,,;-.39,-.84,;1,-.17,;1.09,1.35,;-.16,2.22,;2.26,-1.03,;3.56,-.56,;4.49,-1.64,;4.1,-3.02,;6.05,-1.68,;6.95,-3.01,;8.47,-2.56,;8.51,-.98,;7.01,-.44,;6.59,1.08,;6.14,2.6,;-4.3,.21,;-5.67,-.47,)|
Show InChI InChI=1S/C17H21N7O3/c18-9-14-7-8-21-23(14)17(25)11-19-12-1-3-13(4-2-12)22-16-6-5-15(10-20-16)24(26)27/h5-6,8,10,12-14,19H,1-4,7,11H2,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM50177316
PNG
(2-(4-(7-(4-(aminomethyl)benzoyl)cyclopenta[d][1,2]...)
Show SMILES NCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H18N2O5/c24-11-14-1-3-16(4-2-14)23(28)19-10-9-18-20(19)12-30-25-22(18)15-5-7-17(8-6-15)29-13-21(26)27/h1-10,12H,11,13,24H2,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against CD45 phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Serine/threonine-protein phosphatase PP1-gamma catalytic subunit


(Homo sapiens (Human))
BDBM50177316
PNG
(2-(4-(7-(4-(aminomethyl)benzoyl)cyclopenta[d][1,2]...)
Show SMILES NCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C23H18N2O5/c24-11-14-1-3-16(4-2-14)23(28)19-10-9-18-20(19)12-30-25-22(18)15-5-7-17(8-6-15)29-13-21(26)27/h1-10,12H,11,13,24H2,(H,26,27)
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/an/a 1.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein phosphatase 1


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50150856
PNG
(2-(2-Cyclopentylamino-acetyl)-3,4-dihydro-2H-pyraz...)
Show SMILES O=C(CNC1CCCC1)N1N=CCC1C#N |c:11|
Show InChI InChI=1S/C11H16N4O/c12-7-10-5-6-14-15(10)11(16)8-13-9-3-1-2-4-9/h6,9-10,13H,1-5,8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50177318
PNG
(2-(4-(7-(4-tetradecylbenzoyl)cyclopenta[d][1,2]oxa...)
Show SMILES CCCCCCCCCCCCCCc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C36H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15-17-29(18-16-27)36(40)32-24-23-31-33(32)25-42-37-35(31)28-19-21-30(22-20-28)41-26-34(38)39/h15-25H,2-14,26H2,1H3,(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against cdc25A phosphatase


Bioorg Med Chem Lett 16: 499-502 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.062
BindingDB Entry DOI: 10.7270/Q2319VFG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115744
PNG
((7,8-Dioxo-5-phenyl-7,8-dihydro-naphthalen-1-yl)-c...)
Show SMILES O=C(Nc1cccc2C(=CC(=O)C(=O)c12)c1ccccc1)OCc1ccccc1 |c:8|
Show InChI InChI=1S/C24H17NO4/c26-21-14-19(17-10-5-2-6-11-17)18-12-7-13-20(22(18)23(21)27)25-24(28)29-15-16-8-3-1-4-9-16/h1-14H,15H2,(H,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115765
PNG
(4-Benzyl-[1,2]naphthoquinone | CHEMBL292386)
Show SMILES O=C1C=C(Cc2ccccc2)c2ccccc2C1=O |t:2|
Show InChI InChI=1S/C17H12O2/c18-16-11-13(10-12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(16)19/h1-9,11H,10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50115735
PNG
(CHEMBL58354 | [4-(3,4-Dioxo-1-phenyl-3,4-dihydro-n...)
Show SMILES CC(C)(C)OC(=O)COc1ccc(CC2=C(c3ccccc3)c3ccccc3C(=O)C2=O)cc1 |c:14|
Show InChI InChI=1S/C29H26O5/c1-29(2,3)34-25(30)18-33-21-15-13-19(14-16-21)17-24-26(20-9-5-4-6-10-20)22-11-7-8-12-23(22)27(31)28(24)32/h4-16H,17-18H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.48E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human Protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP)


Bioorg Med Chem Lett 12: 1941-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 151 total )  |  Next  |  Last  >>
Jump to: