BindingDB logo
myBDB logout

PubMed code 10753467

Compile data set for download or QSAR
Found 118 hits of Enzyme Inhibition Constant Data   
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))
BDBM50086986
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphe...)
Show SMILES CCCCCCC(Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)C(O)=O
Show InChI InChI=1S/C35H32Br2O4/c1-2-3-4-8-15-31(35(38)39)41-34-28(36)21-26(22-29(34)37)24-16-18-25(19-17-24)33-27-13-9-10-14-30(27)40-32(33)20-23-11-6-5-7-12-23/h5-7,9-14,16-19,21-22,31H,2-4,8,15,20H2,1H3,(H,38,39)
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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086896
PNG
(4-[4''-(2-Benzyl-benzo[b]thiophen-3-yl)-3-bromo-bi...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C34H23BrO6S2/c35-28-19-24(14-17-30(28)41-43(39,40)25-15-16-26(34(37)38)29(36)20-25)22-10-12-23(13-11-22)33-27-8-4-5-9-31(27)42-32(33)18-21-6-2-1-3-7-21/h1-17,19-20,36H,18H2,(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 24n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086972
PNG
(2-{4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2,6...)
Show SMILES COc1cccc(c1)-c1cc(cc(-c2cccc(OC)c2)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C43H34O5S/c1-46-34-14-8-12-31(23-34)37-25-33(26-38(43(37)48-27-41(44)45)32-13-9-15-35(24-32)47-2)29-18-20-30(21-19-29)42-36-16-6-7-17-39(36)49-40(42)22-28-10-4-3-5-11-28/h3-21,23-26H,22,27H2,1-2H3,(H,44,45)
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 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086947
PNG
(2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C36H26Br2O3S/c37-29-21-27(22-30(38)35(29)41-31(36(39)40)19-23-9-3-1-4-10-23)25-15-17-26(18-16-25)34-28-13-7-8-14-32(28)42-33(34)20-24-11-5-2-6-12-24/h1-18,21-22,31H,19-20H2,(H,39,40)
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 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086950
PNG
(2-[4-[4-(2-benzylbenzo[b]thiophen-3-yl)phenyl]-2,6...)
Show SMILES COc1ccc(cc1)-c1cc(cc(-c2ccc(OC)cc2)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C43H34O5S/c1-46-34-20-16-30(17-21-34)37-25-33(26-38(43(37)48-27-41(44)45)31-18-22-35(47-2)23-19-31)29-12-14-32(15-13-29)42-36-10-6-7-11-39(36)49-40(42)24-28-8-4-3-5-9-28/h3-23,25-26H,24,27H2,1-2H3,(H,44,45)
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 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086911
PNG
(5-[4''-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy...)
Show SMILES OC(=O)c1cc(ccc1O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C34H24O7S/c35-30-19-18-27(21-29(30)34(36)37)42(38,39)41-26-16-14-24(15-17-26)23-10-12-25(13-11-23)33-28-8-4-5-9-31(28)40-32(33)20-22-6-2-1-3-7-22/h1-19,21,35H,20H2,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086970
PNG
(4-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C34H24O6S2/c35-30-21-27(18-19-28(30)34(36)37)42(38,39)40-26-16-14-24(15-17-26)23-10-12-25(13-11-23)33-29-8-4-5-9-31(29)41-32(33)20-22-6-2-1-3-7-22/h1-19,21,35H,20H2,(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 28n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086923
PNG
(4-[4''-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-bi...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C39H32O7S/c40-34-24-30(19-20-31(34)39(41)42)47(43,44)46-36-21-18-29(23-33(36)27-10-4-5-11-27)26-14-16-28(17-15-26)38-32-12-6-7-13-35(32)45-37(38)22-25-8-2-1-3-9-25/h1-3,6-9,12-21,23-24,27,40H,4-5,10-11,22H2,(H,41,42)
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 28n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086975
PNG
(Benzothiophene derivative | CHEMBL25628 | [4-(2-Be...)
Show SMILES COc1cccc(c1)-c1cc(cc(Br)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C36H27BrO4S/c1-40-28-11-7-10-26(19-28)30-20-27(21-31(37)36(30)41-22-34(38)39)24-14-16-25(17-15-24)35-29-12-5-6-13-32(29)42-33(35)18-23-8-3-2-4-9-23/h2-17,19-21H,18,22H2,1H3,(H,38,39)
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 28n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086954
PNG
(CHEMBL278092 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)...)
Show SMILES COc1ccc(cc1)-c1cc(cc(Br)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C36H27BrO4S/c1-40-28-17-15-25(16-18-28)30-20-27(21-31(37)36(30)41-22-34(38)39)24-11-13-26(14-12-24)35-29-9-5-6-10-32(29)42-33(35)19-23-7-3-2-4-8-23/h2-18,20-21H,19,22H2,1H3,(H,38,39)
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 29n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086981
PNG
(4-[4''-(2-Benzyl-benzofuran-3-yl)-3-nitro-biphenyl...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1[N+]([O-])=O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C34H23NO9S/c36-29-20-25(15-16-26(29)34(37)38)45(41,42)44-31-17-14-24(19-28(31)35(39)40)22-10-12-23(13-11-22)33-27-8-4-5-9-30(27)43-32(33)18-21-6-2-1-3-7-21/h1-17,19-20,36H,18H2,(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 29n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086955
PNG
(4-[4''-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibrom...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C34H22Br2O6S2/c35-27-17-23(18-28(36)33(27)42-44(40,41)24-14-15-25(34(38)39)29(37)19-24)21-10-12-22(13-11-21)32-26-8-4-5-9-30(26)43-31(32)16-20-6-2-1-3-7-20/h1-15,17-19,37H,16H2,(H,38,39)
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 30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086951
PNG
(4-[4'-(2-Benzyl-4,5-dimethyl-thiophen-3-yl)-biphen...)
Show SMILES Cc1sc(Cc2ccccc2)c(c1C)-c1ccc(cc1)-c1ccc(OS(=O)(=O)c2ccc(C(O)=O)c(O)c2)cc1
Show InChI InChI=1S/C32H26O6S2/c1-20-21(2)39-30(18-22-6-4-3-5-7-22)31(20)25-10-8-23(9-11-25)24-12-14-26(15-13-24)38-40(36,37)27-16-17-28(32(34)35)29(33)19-27/h3-17,19,33H,18H2,1-2H3,(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 32n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086902
PNG
(4-[4''-(2-Benzyl-benzofuran-3-yl)-3,5-dimethyl-bip...)
Show SMILES Cc1cc(cc(C)c1OS(=O)(=O)c1ccc(C(O)=O)c(O)c1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H28O7S/c1-22-18-27(19-23(2)35(22)43-44(40,41)28-16-17-29(36(38)39)31(37)21-28)25-12-14-26(15-13-25)34-30-10-6-7-11-32(30)42-33(34)20-24-8-4-3-5-9-24/h3-19,21,37H,20H2,1-2H3,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086892
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphe...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H26Br2O4/c37-29-21-27(22-30(38)35(29)42-33(36(39)40)20-24-11-5-2-6-12-24)25-15-17-26(18-16-25)34-28-13-7-8-14-31(28)41-32(34)19-23-9-3-1-4-10-23/h1-18,21-22,33H,19-20H2,(H,39,40)
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 38n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086963
PNG
(4-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxys...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C34H24O7S/c35-30-21-27(18-19-28(30)34(36)37)42(38,39)41-26-16-14-24(15-17-26)23-10-12-25(13-11-23)33-29-8-4-5-9-31(29)40-32(33)20-22-6-2-1-3-7-22/h1-19,21,35H,20H2,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086973
PNG
(4-[4'-(2-Benzoyl-benzofuran-3-yl)-3-cyclopentyl-bi...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(oc2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C39H30O8S/c40-33-23-29(19-20-30(33)39(42)43)48(44,45)47-35-21-18-28(22-32(35)25-8-4-5-9-25)24-14-16-26(17-15-24)36-31-12-6-7-13-34(31)46-38(36)37(41)27-10-2-1-3-11-27/h1-3,6-7,10-23,25,40H,4-5,8-9H2,(H,42,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086988
PNG
(2-[4-(2-Benzyl-benzofuran-3-yl)-4''-methoxy-[1,1';...)
Show SMILES COc1ccc(cc1)-c1cc(ccc1OC(Cc1ccccc1)C(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C43H34O5/c1-46-35-23-20-32(21-24-35)37-28-34(22-25-39(37)48-41(43(44)45)27-30-12-6-3-7-13-30)31-16-18-33(19-17-31)42-36-14-8-9-15-38(36)47-40(42)26-29-10-4-2-5-11-29/h2-25,28,41H,26-27H2,1H3,(H,44,45)
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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086952
PNG
(2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C39H27Br2NO5S/c40-30-21-26(22-31(41)36(30)47-32(39(45)46)18-19-42-37(43)27-10-4-5-11-28(27)38(42)44)24-14-16-25(17-15-24)35-29-12-6-7-13-33(29)48-34(35)20-23-8-2-1-3-9-23/h1-17,21-22,32H,18-20H2,(H,45,46)
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 44n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086969
PNG
(CHEMBL24607 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(cc(Br)c1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C37H29BrO5S/c1-41-27-16-17-28(32(21-27)42-2)30-19-26(20-31(38)37(30)43-22-35(39)40)24-12-14-25(15-13-24)36-29-10-6-7-11-33(29)44-34(36)18-23-8-4-3-5-9-23/h3-17,19-21H,18,22H2,1-2H3,(H,39,40)
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 47n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086967
PNG
(CHEMBL284765 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)...)
Show SMILES CCOc1ccc(cc1)-c1cc(ccc1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C37H30O4S/c1-2-40-30-19-16-27(17-20-30)32-23-29(18-21-33(32)41-24-36(38)39)26-12-14-28(15-13-26)37-31-10-6-7-11-34(31)42-35(37)22-25-8-4-3-5-9-25/h3-21,23H,2,22,24H2,1H3,(H,38,39)
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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086903
PNG
(2-[4-(2-Benzyl-benzo[b]thiophen-3-yl)-4''-chloro-[...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C42H31ClO3S/c43-34-22-19-31(20-23-34)36-27-33(21-24-37(36)46-38(42(44)45)25-28-9-3-1-4-10-28)30-15-17-32(18-16-30)41-35-13-7-8-14-39(35)47-40(41)26-29-11-5-2-6-12-29/h1-24,27,38H,25-26H2,(H,44,45)
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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086916
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphe...)
Show SMILES CCCCC(Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)C(O)=O
Show InChI InChI=1S/C33H28Br2O4/c1-2-3-12-29(33(36)37)39-32-26(34)19-24(20-27(32)35)22-14-16-23(17-15-22)31-25-11-7-8-13-28(25)38-30(31)18-21-9-5-4-6-10-21/h4-11,13-17,19-20,29H,2-3,12,18H2,1H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086929
PNG
(2-[4-(2-Benzyl-benzo[b]thiophen-3-yl)-4''-methoxy-...)
Show SMILES COc1ccc(cc1)-c1cc(ccc1OC(Cc1ccccc1)C(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C43H34O4S/c1-46-35-23-20-32(21-24-35)37-28-34(22-25-38(37)47-39(43(44)45)26-29-10-4-2-5-11-29)31-16-18-33(19-17-31)42-36-14-8-9-15-40(36)48-41(42)27-30-12-6-3-7-13-30/h2-25,28,39H,26-27H2,1H3,(H,44,45)
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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086961
PNG
(CHEMBL25594 | N-{3-[4'-(2-Benzyl-benzo[b]thiophen-...)
Show SMILES COC(=O)C(CCNC(=O)c1ccccc1C(O)=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C40H31Br2NO6S/c1-48-40(47)33(19-20-43-38(44)28-11-5-6-12-29(28)39(45)46)49-37-31(41)22-27(23-32(37)42)25-15-17-26(18-16-25)36-30-13-7-8-14-34(30)50-35(36)21-24-9-3-2-4-10-24/h2-18,22-23,33H,19-21H2,1H3,(H,43,44)(H,45,46)
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 54n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086956
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphe...)
Show SMILES CC(C)CC(Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)C(O)=O
Show InChI InChI=1S/C33H28Br2O4/c1-20(2)16-30(33(36)37)39-32-26(34)18-24(19-27(32)35)22-12-14-23(15-13-22)31-25-10-6-7-11-28(25)38-29(31)17-21-8-4-3-5-9-21/h3-15,18-20,30H,16-17H2,1-2H3,(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 54n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086957
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-bip...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C41H36O4/c42-41(43)39(26-29-13-5-2-6-14-29)45-37-24-23-33(27-35(37)31-15-7-8-16-31)30-19-21-32(22-20-30)40-34-17-9-10-18-36(34)44-38(40)25-28-11-3-1-4-12-28/h1-6,9-14,17-24,27,31,39H,7-8,15-16,25-26H2,(H,42,43)
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 55n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086953
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3-bromo-biphenyl-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H27BrO4/c37-30-23-28(19-20-32(30)41-34(36(38)39)22-25-11-5-2-6-12-25)26-15-17-27(18-16-26)35-29-13-7-8-14-31(29)40-33(35)21-24-9-3-1-4-10-24/h1-20,23,34H,21-22H2,(H,38,39)
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 56n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086994
PNG
(2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3-bromo-bip...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C36H27BrO3S/c37-30-23-28(19-20-31(30)40-32(36(38)39)21-24-9-3-1-4-10-24)26-15-17-27(18-16-26)35-29-13-7-8-14-33(29)41-34(35)22-25-11-5-2-6-12-25/h1-20,23,32H,21-22H2,(H,38,39)
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 58n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086905
PNG
(CHEMBL429385 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)...)
Show SMILES COc1cccc(c1OC)-c1cc(ccc1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C37H30O5S/c1-40-32-13-8-12-28(37(32)41-2)30-22-27(19-20-31(30)42-23-35(38)39)25-15-17-26(18-16-25)36-29-11-6-7-14-33(29)43-34(36)21-24-9-4-3-5-10-24/h3-20,22H,21,23H2,1-2H3,(H,38,39)
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 71n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086914
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dimethyl-biph...)
Show SMILES Cc1cc(cc(C)c1OC(Cc1ccccc1)C(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C38H32O4/c1-25-21-31(22-26(2)37(25)42-35(38(39)40)24-28-13-7-4-8-14-28)29-17-19-30(20-18-29)36-32-15-9-10-16-33(32)41-34(36)23-27-11-5-3-6-12-27/h3-22,35H,23-24H2,1-2H3,(H,39,40)
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 74n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086993
PNG
(4-[4''-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C34H24O6S/c35-34(36)27-16-20-29(21-17-27)41(37,38)40-28-18-14-25(15-19-28)24-10-12-26(13-11-24)33-30-8-4-5-9-31(30)39-32(33)22-23-6-2-1-3-7-23/h1-21H,22H2,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086985
PNG
(2-{4'-[2-(4-Methoxy-benzyl)-benzo[b]thiophen-3-yl]...)
Show SMILES COc1ccc(Cc2sc3ccccc3c2-c2ccc(cc2)-c2ccc(OC(Cc3ccccc3)C(O)=O)cc2)cc1
Show InChI InChI=1S/C37H30O4S/c1-40-30-19-11-26(12-20-30)24-35-36(32-9-5-6-10-34(32)42-35)29-15-13-27(14-16-29)28-17-21-31(22-18-28)41-33(37(38)39)23-25-7-3-2-4-8-25/h2-22,33H,23-24H2,1H3,(H,38,39)
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 77n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086906
PNG
(2-{4'-[2-(2,2-Dimethyl-benzo[1,3]dioxol-5-ylmethyl...)
Show SMILES CC1(C)Oc2ccc(Cc3sc4ccccc4c3-c3ccc(cc3)-c3ccc(OC(Cc4ccccc4)C(O)=O)cc3)cc2O1
Show InChI InChI=1S/C39H32O5S/c1-39(2)43-32-21-12-26(23-33(32)44-39)24-36-37(31-10-6-7-11-35(31)45-36)29-15-13-27(14-16-29)28-17-19-30(20-18-28)42-34(38(40)41)22-25-8-4-3-5-9-25/h3-21,23,34H,22,24H2,1-2H3,(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 77n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086938
PNG
(CHEMBL24843 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-...)
Show SMILES COc1ccc(cc1)-c1cc(ccc1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C36H28O4S/c1-39-29-18-15-26(16-19-29)31-22-28(17-20-32(31)40-23-35(37)38)25-11-13-27(14-12-25)36-30-9-5-6-10-33(30)41-34(36)21-24-7-3-2-4-8-24/h2-20,22H,21,23H2,1H3,(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 80n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086932
PNG
(2-(4'-(2-benzylbenzofuran-3-yl)-4-phenethoxybiphen...)
Show SMILES OC(=O)CNc1cc(ccc1OCCc1ccccc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C37H31NO4/c39-36(40)25-38-32-24-30(19-20-34(32)41-22-21-26-9-3-1-4-10-26)28-15-17-29(18-16-28)37-31-13-7-8-14-33(31)42-35(37)23-27-11-5-2-6-12-27/h1-20,24,38H,21-23,25H2,(H,39,40)
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 82n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086977
PNG
(2-{4'-[2-(2,4-Dimethoxy-benzyl)-benzo[b]thiophen-3...)
Show SMILES COc1ccc(Cc2sc3ccccc3c2-c2ccc(cc2)-c2ccc(OC(Cc3ccccc3)C(O)=O)cc2)c(OC)c1
Show InChI InChI=1S/C38H32O5S/c1-41-31-21-18-29(33(24-31)42-2)23-36-37(32-10-6-7-11-35(32)44-36)28-14-12-26(13-15-28)27-16-19-30(20-17-27)43-34(38(39)40)22-25-8-4-3-5-9-25/h3-21,24,34H,22-23H2,1-2H3,(H,39,40)
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 85n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086989
PNG
(2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-biphenyl-4-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C36H28O3S/c37-36(38)32(23-25-9-3-1-4-10-25)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-31-13-7-8-14-33(31)40-34(35)24-26-11-5-2-6-12-26/h1-22,32H,23-24H2,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086897
PNG
(CHEMBL24213 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-...)
Show SMILES OC(=O)COc1ccc(cc1-c1ccccc1)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C35H26O3S/c36-34(37)23-38-31-20-19-28(22-30(31)26-11-5-2-6-12-26)25-15-17-27(18-16-25)35-29-13-7-8-14-32(29)39-33(35)21-24-9-3-1-4-10-24/h1-20,22H,21,23H2,(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 100n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086901
PNG
(CHEMBL25395 | [4-(2-Benzyl-benzo[b]thiophen-3-yl)-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(ccc1OCC(O)=O)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C38H32O6S/c1-41-32-21-28(22-33(42-2)38(32)43-3)30-20-27(17-18-31(30)44-23-36(39)40)25-13-15-26(16-14-25)37-29-11-7-8-12-34(29)45-35(37)19-24-9-5-4-6-10-24/h4-18,20-22H,19,23H2,1-3H3,(H,39,40)
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 100n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086941
PNG
(3-[4''-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy...)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C34H24O6S/c35-34(36)27-9-6-10-29(22-27)41(37,38)40-28-19-17-25(18-20-28)24-13-15-26(16-14-24)33-30-11-4-5-12-31(30)39-32(33)21-23-7-2-1-3-8-23/h1-20,22H,21H2,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086974
PNG
(CHEMBL24384 | [4'-(2-Butyl-benzo[b]thiophen-3-yl)-...)
Show SMILES CCCCc1sc2ccccc2c1-c1ccc(cc1)-c1ccc(OC(C(O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H28O3S/c1-2-3-12-29-30(27-11-7-8-13-28(27)36-29)24-16-14-22(15-17-24)23-18-20-26(21-19-23)35-31(32(33)34)25-9-5-4-6-10-25/h4-11,13-21,31H,2-3,12H2,1H3,(H,33,34)
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 110n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086931
PNG
(2-{4'-[2-(Hydroxy-phenyl-methyl)-benzofuran-3-yl]-...)
Show SMILES OC(c1oc2ccccc2c1-c1ccc(cc1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C36H28O5/c37-34(28-11-5-2-6-12-28)35-33(30-13-7-8-14-31(30)41-35)27-17-15-25(16-18-27)26-19-21-29(22-20-26)40-32(36(38)39)23-24-9-3-1-4-10-24/h1-22,32,34,37H,23H2,(H,38,39)
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 110n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086995
PNG
(2-{4'-[2-(2,4-Dihydroxy-benzyl)-benzo[b]thiophen-3...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccc(O)cc2O)sc2ccccc12
Show InChI InChI=1S/C36H28O5S/c37-28-17-14-27(31(38)22-28)21-34-35(30-8-4-5-9-33(30)42-34)26-12-10-24(11-13-26)25-15-18-29(19-16-25)41-32(36(39)40)20-23-6-2-1-3-7-23/h1-19,22,32,37-38H,20-21H2,(H,39,40)
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 120n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086939
PNG
(2-{4'-[2-(3,4-Dimethoxy-benzyl)-benzo[b]thiophen-3...)
Show SMILES COc1ccc(Cc2sc3ccccc3c2-c2ccc(cc2)-c2ccc(OC(Cc3ccccc3)C(O)=O)cc2)cc1OC
Show InChI InChI=1S/C38H32O5S/c1-41-32-21-12-26(23-33(32)42-2)24-36-37(31-10-6-7-11-35(31)44-36)29-15-13-27(14-16-29)28-17-19-30(20-18-28)43-34(38(39)40)22-25-8-4-3-5-9-25/h3-21,23,34H,22,24H2,1-2H3,(H,39,40)
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 120n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086946
PNG
(2-{4'-[2-(4-Fluoro-benzyl)-benzo[b]thiophen-3-yl]-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccc(F)cc2)sc2ccccc12
Show InChI InChI=1S/C36H27FO3S/c37-29-18-10-25(11-19-29)23-34-35(31-8-4-5-9-33(31)41-34)28-14-12-26(13-15-28)27-16-20-30(21-17-27)40-32(36(38)39)22-24-6-2-1-3-7-24/h1-21,32H,22-23H2,(H,38,39)
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 120n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086927
PNG
(2-{3,5-Dibromo-4''-[5-methyl-2-(4-trifluoromethyl-...)
Show SMILES Cc1oc(nc1-c1ccc(cc1)-c1cc(Br)c(OC(Cc2ccccc2)C(O)=O)c(Br)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H22Br2F3NO4/c1-18-28(38-30(41-18)22-11-13-24(14-12-22)32(35,36)37)21-9-7-20(8-10-21)23-16-25(33)29(26(34)17-23)42-27(31(39)40)15-19-5-3-2-4-6-19/h2-14,16-17,27H,15H2,1H3,(H,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086930
PNG
(2-[4'-(2-Benzyl-5-fluoro-benzofuran-3-yl)-biphenyl...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccc(F)cc12
Show InChI InChI=1S/C36H27FO4/c37-29-17-20-32-31(23-29)35(33(41-32)21-24-7-3-1-4-8-24)28-13-11-26(12-14-28)27-15-18-30(19-16-27)40-34(36(38)39)22-25-9-5-2-6-10-25/h1-20,23,34H,21-22H2,(H,38,39)
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 130n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086919
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphe...)
Show SMILES CCC(Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)C(O)=O
Show InChI InChI=1S/C31H24Br2O4/c1-2-26(31(34)35)37-30-24(32)17-22(18-25(30)33)20-12-14-21(15-13-20)29-23-10-6-7-11-27(23)36-28(29)16-19-8-4-3-5-9-19/h3-15,17-18,26H,2,16H2,1H3,(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 130n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086900
PNG
(3-(4'-(2-benzylbenzofuran-3-yl)-4-phenethoxybiphen...)
Show SMILES OC(=O)CCNc1cc(ccc1OCCc1ccccc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C38H33NO4/c40-37(41)21-23-39-33-26-31(19-20-35(33)42-24-22-27-9-3-1-4-10-27)29-15-17-30(18-16-29)38-32-13-7-8-14-34(32)43-36(38)25-28-11-5-2-6-12-28/h1-20,26,39H,21-25H2,(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 140n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086980
PNG
(2-(4'-(2-benzylbenzofuran-3-yl)-4-hydroxybiphenyl-...)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1cc(ccc1O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C35H25NO5/c37-30-19-18-25(21-29(30)36-34(38)26-10-4-5-11-27(26)35(39)40)23-14-16-24(17-15-23)33-28-12-6-7-13-31(28)41-32(33)20-22-8-2-1-3-9-22/h1-19,21,37H,20H2,(H,36,38)(H,39,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086913
PNG
(2-[4'-(2-Butyl-benzo[b]thiophen-3-yl)-biphenyl-4-y...)
Show SMILES CCCCc1sc2ccccc2c1-c1ccc(cc1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C33H30O3S/c1-2-3-12-31-32(28-11-7-8-13-30(28)37-31)26-16-14-24(15-17-26)25-18-20-27(21-19-25)36-29(33(34)35)22-23-9-5-4-6-10-23/h4-11,13-21,29H,2-3,12,22H2,1H3,(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 170n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086910
PNG
(2-(4'-(2-benzylbenzofuran-3-yl)-3-cyclopentylbiphe...)
Show SMILES OC(=O)COc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C34H30O4/c35-33(36)22-37-30-19-18-27(21-29(30)25-10-4-5-11-25)24-14-16-26(17-15-24)34-28-12-6-7-13-31(28)38-32(34)20-23-8-2-1-3-9-23/h1-3,6-9,12-19,21,25H,4-5,10-11,20,22H2,(H,35,36)
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 170n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086983
PNG
(4-(4'-(2-benzylbenzo[b]thiophen-3-yl)-3-bromobiphe...)
Show SMILES OC(=O)CCCOc1ccc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C31H25BrO3S/c32-26-20-24(16-17-27(26)35-18-6-11-30(33)34)22-12-14-23(15-13-22)31-25-9-4-5-10-28(25)36-29(31)19-21-7-2-1-3-8-21/h1-5,7-10,12-17,20H,6,11,18-19H2,(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086888
PNG
(4-[4'-(2-Benzoyl-benzofuran-3-yl)-3-nitro-biphenyl...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1[N+]([O-])=O)-c1ccc(cc1)-c1c(oc2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C34H21NO10S/c36-28-19-24(15-16-25(28)34(38)39)46(42,43)45-30-17-14-23(18-27(30)35(40)41)20-10-12-21(13-11-20)31-26-8-4-5-9-29(26)44-33(31)32(37)22-6-2-1-3-7-22/h1-19,36H,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 178n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086926
PNG
(CHEMBL25322 | N-{3-[4'-(2-Benzyl-benzo[b]thiophen-...)
Show SMILES OC(=O)C(CCNC(=O)c1ccccc1C(O)=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C39H29Br2NO6S/c40-30-21-26(22-31(41)36(30)48-32(39(46)47)18-19-42-37(43)27-10-4-5-11-28(27)38(44)45)24-14-16-25(17-15-24)35-29-12-6-7-13-33(29)49-34(35)20-23-8-2-1-3-9-23/h1-17,21-22,32H,18-20H2,(H,42,43)(H,44,45)(H,46,47)
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 180n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086958
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy]...)
Show SMILES OC(=O)C(CCc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C37H30O4/c38-37(39)34(24-15-26-9-3-1-4-10-26)40-31-22-20-29(21-23-31)28-16-18-30(19-17-28)36-32-13-7-8-14-33(32)41-35(36)25-27-11-5-2-6-12-27/h1-14,16-23,34H,15,24-25H2,(H,38,39)
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 220n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086996
PNG
(4''-[(2-Butyl-benzofuran-3-yl)-hydroxy-methyl]-bip...)
Show SMILES CCCCc1oc2ccccc2c1C(O)c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H24O3/c1-2-3-7-23-24(21-6-4-5-8-22(21)28-23)25(27)19-11-9-17(10-12-19)18-13-15-20(26)16-14-18/h4-6,8-16,25-27H,2-3,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086893
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-3-nitro-biphenyl-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1[N+]([O-])=O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H27NO6/c38-36(39)34(22-25-11-5-2-6-12-25)43-32-20-19-28(23-30(32)37(40)41)26-15-17-27(18-16-26)35-29-13-7-8-14-31(29)42-33(35)21-24-9-3-1-4-10-24/h1-20,23,34H,21-22H2,(H,38,39)
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 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086898
PNG
(2-[4''-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H28O4/c37-36(38)34(24-26-11-5-2-6-12-26)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-31-13-7-8-14-32(31)40-33(35)23-25-9-3-1-4-10-25/h1-22,34H,23-24H2,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086922
PNG
(2-[4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo...)
Show SMILES OC(=O)C(CCc1ccccc1)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C37H28Br2O3S/c38-30-22-28(23-31(39)36(30)42-32(37(40)41)20-15-24-9-3-1-4-10-24)26-16-18-27(19-17-26)35-29-13-7-8-14-33(29)43-34(35)21-25-11-5-2-6-12-25/h1-14,16-19,22-23,32H,15,20-21H2,(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 290n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086936
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy]...)
Show SMILES CC(Cc1ccccc1)(Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)C(O)=O
Show InChI InChI=1S/C37H30O4/c1-37(36(38)39,25-27-12-6-3-7-13-27)41-31-22-20-29(21-23-31)28-16-18-30(19-17-28)35-32-14-8-9-15-33(32)40-34(35)24-26-10-4-2-5-11-26/h2-23H,24-25H2,1H3,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086999
PNG
(2-[6-(2-Butyl-benzofuran-3-ylmethyl)-1-iodo-naphth...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc2c(I)c(OC(Cc3ccccc3)C(O)=O)ccc2c1
Show InChI InChI=1S/C32H29IO4/c1-2-3-12-28-26(25-11-7-8-13-27(25)36-28)19-22-14-16-24-23(18-22)15-17-29(31(24)33)37-30(32(34)35)20-21-9-5-4-6-10-21/h4-11,13-18,30H,2-3,12,19-20H2,1H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50409191
PNG
(CHEMBL365490)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H28O4/c37-36(38)34(24-26-11-5-2-6-12-26)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-31-13-7-8-14-32(31)40-33(35)23-25-9-3-1-4-10-25/h1-22,34H,23-24H2,(H,37,38)/t34-/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 320n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50087000
PNG
(1-Bromo-6-(2-butyl-benzofuran-3-ylmethyl)-naphthal...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(O)ccc2c1
Show InChI InChI=1S/C23H21BrO2/c1-2-3-7-22-19(18-6-4-5-8-21(18)26-22)14-15-9-11-17-16(13-15)10-12-20(25)23(17)24/h4-6,8-13,25H,2-3,7,14H2,1H3
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 330n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086921
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy]...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C39H29NO6/c41-37-30-10-4-5-11-31(30)38(42)40(37)23-22-34(39(43)44)45-29-20-18-27(19-21-29)26-14-16-28(17-15-26)36-32-12-6-7-13-33(32)46-35(36)24-25-8-2-1-3-9-25/h1-21,34H,22-24H2,(H,43,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086944
PNG
(2-[4'-(3-Benzyl-benzofuran-2-yl)-biphenyl-4-yloxy]...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1oc2ccccc2c1Cc1ccccc1
Show InChI InChI=1S/C36H28O4/c37-36(38)34(24-26-11-5-2-6-12-26)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-32(23-25-9-3-1-4-10-25)31-13-7-8-14-33(31)40-35/h1-22,34H,23-24H2,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50409192
PNG
(CHEMBL188928)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H28O4/c37-36(38)34(24-26-11-5-2-6-12-26)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-31-13-7-8-14-32(31)40-33(35)23-25-9-3-1-4-10-25/h1-22,34H,23-24H2,(H,37,38)/t34-/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 350n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086943
PNG
(4-(4'-Benzofuran-3-yl-biphenyl-4-yloxysulfonyl)-2-...)
Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1coc2ccccc12
Show InChI InChI=1S/C27H18O7S/c28-25-15-21(13-14-23(25)27(29)30)35(31,32)34-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24-16-33-26-4-2-1-3-22(24)26/h1-16,28H,(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 354n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086997
PNG
(4-((4'-(2-benzylbenzofuran-3-yl)biphenyl-4-yloxy)m...)
Show SMILES OC(=O)c1ccc(COc2ccc(cc2)-c2ccc(cc2)-c2c(Cc3ccccc3)oc3ccccc23)cc1
Show InChI InChI=1S/C35H26O4/c36-35(37)29-12-10-25(11-13-29)23-38-30-20-18-27(19-21-30)26-14-16-28(17-15-26)34-31-8-4-5-9-32(31)39-33(34)22-24-6-2-1-3-7-24/h1-21H,22-23H2,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086924
PNG
(2-(4'-(2-benzylbenzo[b]thiophen-3-yl)-3-bromobiphe...)
Show SMILES OC(=O)COc1ccc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C29H21BrO3S/c30-24-17-22(14-15-25(24)33-18-28(31)32)20-10-12-21(13-11-20)29-23-8-4-5-9-26(23)34-27(29)16-19-6-2-1-3-7-19/h1-15,17H,16,18H2,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086960
PNG
(2-[1-Bromo-6-(2-butyl-benzofuran-3-ylmethyl)-napht...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(OC(Cc3ccccc3)C(O)=O)ccc2c1
Show InChI InChI=1S/C32H29BrO4/c1-2-3-12-28-26(25-11-7-8-13-27(25)36-28)19-22-14-16-24-23(18-22)15-17-29(31(24)33)37-30(32(34)35)20-21-9-5-4-6-10-21/h4-11,13-18,30H,2-3,12,19-20H2,1H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086968
PNG
(6-(2-Butyl-benzofuran-3-ylmethyl)-1-iodo-naphthale...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc2c(I)c(O)ccc2c1
Show InChI InChI=1S/C23H21IO2/c1-2-3-7-22-19(18-6-4-5-8-21(18)26-22)14-15-9-11-17-16(13-15)10-12-20(25)23(17)24/h4-6,8-13,25H,2-3,7,14H2,1H3
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 380n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086949
PNG
(CHEMBL25200 | [4'-(2-Benzyl-benzofuran-3-yl)-biphe...)
Show SMILES OC(=O)C(Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C35H26O4/c36-35(37)34(28-11-5-2-6-12-28)38-29-21-19-26(20-22-29)25-15-17-27(18-16-25)33-30-13-7-8-14-31(30)39-32(33)23-24-9-3-1-4-10-24/h1-22,34H,23H2,(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 400n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086940
PNG
(2-[4'-(2-Benzyl-5-methyl-benzofuran-3-yl)-biphenyl...)
Show SMILES Cc1ccc2oc(Cc3ccccc3)c(-c3ccc(cc3)-c3ccc(OC(Cc4ccccc4)C(O)=O)cc3)c2c1
Show InChI InChI=1S/C37H30O4/c1-25-12-21-33-32(22-25)36(34(41-33)23-26-8-4-2-5-9-26)30-15-13-28(14-16-30)29-17-19-31(20-18-29)40-35(37(38)39)24-27-10-6-3-7-11-27/h2-22,35H,23-24H2,1H3,(H,38,39)
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 410n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086899
PNG
(2-[4''-(2-Butyl-benzofuran-3-yl)-biphenyl-4-yloxy]...)
Show SMILES CCCCc1oc2ccccc2c1-c1ccc(cc1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C33H30O4/c1-2-3-12-30-32(28-11-7-8-13-29(28)37-30)26-16-14-24(15-17-26)25-18-20-27(21-19-25)36-31(33(34)35)22-23-9-5-4-6-10-23/h4-11,13-21,31H,2-3,12,22H2,1H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086933
PNG
(4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibromo-bi...)
Show SMILES Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C27H18Br2OS/c28-22-15-20(16-23(29)27(22)30)18-10-12-19(13-11-18)26-21-8-4-5-9-24(21)31-25(26)14-17-6-2-1-3-7-17/h1-13,15-16,30H,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086917
PNG
(3-[4'-(2-Benzyl-benzofuran-3-yl)-4-hydroxy-bipheny...)
Show SMILES OC(=O)\C=C/C(=O)Nc1cc(ccc1O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C31H23NO5/c33-26-15-14-23(19-25(26)32-29(34)16-17-30(35)36)21-10-12-22(13-11-21)31-24-8-4-5-9-27(24)37-28(31)18-20-6-2-1-3-7-20/h1-17,19,33H,18H2,(H,32,34)(H,35,36)/b17-16-
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 460n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against recombinant human Protein Tyrosine Phosphatase 1b


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086991
PNG
(CHEMBL25008 | {3,5-Dibromo-4'-[5-methyl-2-(4-trifl...)
Show SMILES Cc1oc(nc1-c1ccc(cc1)-c1cc(Br)c(OCC(O)=O)c(Br)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H16Br2F3NO4/c1-13-22(31-24(35-13)16-6-8-18(9-7-16)25(28,29)30)15-4-2-14(3-5-15)17-10-19(26)23(20(27)11-17)34-12-21(32)33/h2-11H,12H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086992
PNG
(1-Bromo-6-[(2-butyl-benzofuran-3-yl)-hydroxy-methy...)
Show SMILES CCCCc1oc2ccccc2c1C(O)c1ccc2c(Br)c(O)ccc2c1
Show InChI InChI=1S/C23H21BrO3/c1-2-3-7-20-21(17-6-4-5-8-19(17)27-20)23(26)15-9-11-16-14(13-15)10-12-18(25)22(16)24/h4-6,8-13,23,25-26H,2-3,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086891
PNG
(1-[4'-(2-Butyl-benzofuran-3-ylmethyl)-biphenyl-4-y...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc(cc1)-c1ccc(OCn2cnnn2)cc1
Show InChI InChI=1S/C27H26N4O2/c1-2-3-7-27-25(24-6-4-5-8-26(24)33-27)17-20-9-11-21(12-10-20)22-13-15-23(16-14-22)32-19-31-18-28-29-30-31/h4-6,8-16,18H,2-3,7,17,19H2,1H3
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 510n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086908
PNG
(2-[4'-(2-Benzyl-4,5-dimethyl-thiophen-3-yl)-biphen...)
Show SMILES Cc1sc(Cc2ccccc2)c(c1C)-c1ccc(cc1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C34H30O3S/c1-23-24(2)38-32(22-26-11-7-4-8-12-26)33(23)29-15-13-27(14-16-29)28-17-19-30(20-18-28)37-31(34(35)36)21-25-9-5-3-6-10-25/h3-20,31H,21-22H2,1-2H3,(H,35,36)
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 510n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086990
PNG
(4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-diiodo-bip...)
Show SMILES Oc1c(I)cc(cc1I)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C27H18I2OS/c28-22-15-20(16-23(29)27(22)30)18-10-12-19(13-11-18)26-21-8-4-5-9-24(21)31-25(26)14-17-6-2-1-3-7-17/h1-13,15-16,30H,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086918
PNG
(CHEMBL24005 | {4''-[(2-Butyl-benzofuran-3-yl)-hydr...)
Show SMILES CCCCc1oc2ccccc2c1C(O)c1ccc(cc1)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C27H26O5/c1-2-3-7-24-26(22-6-4-5-8-23(22)32-24)27(30)20-11-9-18(10-12-20)19-13-15-21(16-14-19)31-17-25(28)29/h4-6,8-16,27,30H,2-3,7,17H2,1H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086912
PNG
(4-((3-(4'-hydroxybiphenyl-4-yl)benzo[b]thiophen-2-...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccc(O)cc2O)sc2ccccc12
Show InChI InChI=1S/C27H20O3S/c28-21-12-9-18(10-13-21)17-5-7-19(8-6-17)27-23-3-1-2-4-25(23)31-26(27)15-20-11-14-22(29)16-24(20)30/h1-14,16,28-30H,15H2
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 580n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086925
PNG
(2-[4'-(2-Benzyl-furo[2,3-b]pyridin-3-yl)-biphenyl-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ncccc12
Show InChI InChI=1S/C35H27NO4/c37-35(38)32(23-25-10-5-2-6-11-25)39-29-19-17-27(18-20-29)26-13-15-28(16-14-26)33-30-12-7-21-36-34(30)40-31(33)22-24-8-3-1-4-9-24/h1-21,32H,22-23H2,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086964
PNG
(3,5-Dibromo-4'-[5-methyl-2-(4-trifluoromethyl-phen...)
Show SMILES Cc1oc(nc1-c1ccc(cc1)-c1cc(Br)c(O)c(Br)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H14Br2F3NO2/c1-12-20(29-22(31-12)15-6-8-17(9-7-15)23(26,27)28)14-4-2-13(3-5-14)16-10-18(24)21(30)19(25)11-16/h2-11,30H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086894
PNG
(2-[4'-(2-Benzoyl-benzofuran-3-yl)-biphenyl-4-yloxy...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(oc2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C36H26O5/c37-34(28-11-5-2-6-12-28)35-33(30-13-7-8-14-31(30)41-35)27-17-15-25(16-18-27)26-19-21-29(22-20-26)40-32(36(38)39)23-24-9-3-1-4-10-24/h1-22,32H,23H2,(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086934
PNG
(1-[1-Bromo-6-(2-butyl-benzofuran-3-ylmethyl)-napht...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(OCn3cnnn3)ccc2c1
Show InChI InChI=1S/C25H23BrN4O2/c1-2-3-7-23-21(20-6-4-5-8-22(20)32-23)14-17-9-11-19-18(13-17)10-12-24(25(19)26)31-16-30-15-27-28-29-30/h4-6,8-13,15H,2-3,7,14,16H2,1H3
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 700n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086915
PNG
(4'-(2-Butyl-benzo[b]thiophen-3-yl)-biphenyl-4-ol |...)
Show SMILES CCCCc1sc2ccccc2c1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H22OS/c1-2-3-7-23-24(21-6-4-5-8-22(21)26-23)19-11-9-17(10-12-19)18-13-15-20(25)16-14-18/h4-6,8-16,25H,2-3,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086987
PNG
(CHEMBL24501 | [3-(4'-Hydroxy-biphenyl-4-yl)-benzof...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1c(oc2ccccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C27H18O3/c28-22-16-14-19(15-17-22)18-10-12-20(13-11-18)25-23-8-4-5-9-24(23)30-27(25)26(29)21-6-2-1-3-7-21/h1-17,28H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086976
PNG
(4''-(2-Butyl-benzofuran-3-yl)-biphenyl-4-ol | 4'-(...)
Show SMILES CCCCc1oc2ccccc2c1-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H22O2/c1-2-3-7-23-24(21-6-4-5-8-22(21)26-23)19-11-9-17(10-12-19)18-13-15-20(25)16-14-18/h4-6,8-16,25H,2-3,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086948
PNG
(CHEMBL282113 | {4'-[5-Methyl-2-(4-trifluoromethyl-...)
Show SMILES Cc1oc(nc1-c1ccc(cc1)-c1ccc(OCC(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H18F3NO4/c1-15-23(29-24(33-15)19-6-10-20(11-7-19)25(26,27)28)18-4-2-16(3-5-18)17-8-12-21(13-9-17)32-14-22(30)31/h2-13H,14H2,1H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086904
PNG
(1-{4'-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazo...)
Show SMILES Cc1oc(nc1-c1ccc(cc1)-c1ccc(OCn2cnnn2)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H18F3N5O2/c1-16-23(30-24(35-16)20-6-10-21(11-7-20)25(26,27)28)19-4-2-17(3-5-19)18-8-12-22(13-9-18)34-15-33-14-29-31-32-33/h2-14H,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086935
PNG
(4-(4'-(2-benzylbenzofuran-3-yl)-4-hydroxybiphenyl-...)
Show SMILES OC(=O)CCC(=O)Nc1cc(ccc1O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C31H25NO5/c33-26-15-14-23(19-25(26)32-29(34)16-17-30(35)36)21-10-12-22(13-11-21)31-24-8-4-5-9-27(24)37-28(31)18-20-6-2-1-3-7-20/h1-15,19,33H,16-18H2,(H,32,34)(H,35,36)
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 920n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against recombinant human Protein Tyrosine Phosphatase 1b


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086909
PNG
(4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-ol | 4'-(...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C27H20O2/c28-23-16-14-21(15-17-23)20-10-12-22(13-11-20)27-24-8-4-5-9-25(24)29-26(27)18-19-6-2-1-3-7-19/h1-17,28H,18H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086978
PNG
(2-[4'-(2-Benzyl-thiophen-3-yl)-biphenyl-4-yloxy]-3...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1ccsc1Cc1ccccc1
Show InChI InChI=1S/C32H26O3S/c33-32(34)30(21-23-7-3-1-4-8-23)35-28-17-15-26(16-18-28)25-11-13-27(14-12-25)29-19-20-36-31(29)22-24-9-5-2-6-10-24/h1-20,30H,21-22H2,(H,33,34)
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 970n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086962
PNG
(4'-(2-Benzyl-benzo[b]thiophen-3-yl)-3-bromo-biphen...)
Show SMILES Oc1ccc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C27H19BrOS/c28-23-17-21(14-15-24(23)29)19-10-12-20(13-11-19)27-22-8-4-5-9-25(22)30-26(27)16-18-6-2-1-3-7-18/h1-15,17,29H,16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50087001
PNG
(4'-(2-(4-hydroxybenzyl)benzo[b]thiophen-3-yl)biphe...)
Show SMILES Oc1ccc(Cc2sc3ccccc3c2-c2ccc(cc2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H20O2S/c28-22-13-5-18(6-14-22)17-26-27(24-3-1-2-4-25(24)30-26)21-9-7-19(8-10-21)20-11-15-23(29)16-12-20/h1-16,28-29H,17H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086942
PNG
(CHEMBL416743 | [5-Bromo-6-(tetrazol-1-ylmethoxy)-n...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc2c(Br)c(OCn3cnnn3)ccc2c1
Show InChI InChI=1S/C25H21BrN4O3/c1-2-3-7-21-23(19-6-4-5-8-20(19)33-21)25(31)17-9-11-18-16(13-17)10-12-22(24(18)26)32-15-30-14-27-28-29-30/h4-6,8-14H,2-3,7,15H2,1H3
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 1.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086959
PNG
(6-[(2-Butyl-benzofuran-3-yl)-hydroxy-methyl]-napht...)
Show SMILES CCCCc1oc2ccccc2c1C(O)c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C23H22O3/c1-2-3-7-21-22(19-6-4-5-8-20(19)26-21)23(25)17-10-9-16-14-18(24)12-11-15(16)13-17/h4-6,8-14,23-25H,2-3,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086979
PNG
(CHEMBL279936 | [4''-(2-Butyl-benzofuran-3-ylmethyl...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc(cc1)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C27H26O4/c1-2-3-7-26-24(23-6-4-5-8-25(23)31-26)17-19-9-11-20(12-10-19)21-13-15-22(16-14-21)30-18-27(28)29/h4-6,8-16H,2-3,7,17-18H2,1H3,(H,28,29)
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 1.15E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086998
PNG
(2-Acetoxy-4-(4'-benzofuran-3-yl-biphenyl-4-yloxysu...)
Show SMILES CC(=O)Oc1cc(ccc1C(O)=O)S(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)-c1coc2ccccc12
Show InChI InChI=1S/C29H20O8S/c1-18(30)36-28-16-23(14-15-25(28)29(31)32)38(33,34)37-22-12-10-20(11-13-22)19-6-8-21(9-7-19)26-17-35-27-5-3-2-4-24(26)27/h2-17H,1H3,(H,31,32)
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 1.16E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086984
PNG
(3-Phenyl-2-[4'-(2-thiazol-2-ylmethyl-benzo[b]thiop...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2nccs2)sc2ccccc12
Show InChI InChI=1S/C33H25NO3S2/c35-33(36)28(20-22-6-2-1-3-7-22)37-26-16-14-24(15-17-26)23-10-12-25(13-11-23)32-27-8-4-5-9-29(27)39-30(32)21-31-34-18-19-38-31/h1-19,28H,20-21H2,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.16E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086945
PNG
(4''-(2-Butyl-benzofuran-3-ylmethyl)-biphenyl-4-ol ...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H24O2/c1-2-3-7-25-23(22-6-4-5-8-24(22)27-25)17-18-9-11-19(12-10-18)20-13-15-21(26)16-14-20/h4-6,8-16,26H,2-3,7,17H2,1H3
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 1.19E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086920
PNG
(2-[1-Bromo-6-(2-butyl-benzofuran-3-carbonyl)-napht...)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1ccc2c(Br)c(OC(Cc3ccccc3)C(O)=O)ccc2c1
Show InChI InChI=1S/C32H27BrO5/c1-2-3-12-26-29(24-11-7-8-13-25(24)37-26)31(34)22-14-16-23-21(19-22)15-17-27(30(23)33)38-28(32(35)36)18-20-9-5-4-6-10-20/h4-11,13-17,19,28H,2-3,12,18H2,1H3,(H,35,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086966
PNG
(CHEMBL282855 | {1-Bromo-6-[5-methyl-2-(4-trifluoro...)
Show SMILES Cc1oc(nc1-c1ccc2c(Br)c(OCC(O)=O)ccc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H15BrF3NO4/c1-12-21(28-22(32-12)13-2-6-16(7-3-13)23(25,26)27)15-4-8-17-14(10-15)5-9-18(20(17)24)31-11-19(29)30/h2-10H,11H2,1H3,(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 1.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086937
PNG
(2-{4'-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazo...)
Show SMILES Cc1oc(nc1-c1ccc(cc1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H24F3NO4/c1-20-29(36-30(39-20)25-11-15-26(16-12-25)32(33,34)35)24-9-7-22(8-10-24)23-13-17-27(18-14-23)40-28(31(37)38)19-21-5-3-2-4-6-21/h2-18,28H,19H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086890
PNG
(6-(2-Butyl-benzofuran-3-ylmethyl)-naphthalen-2-ol ...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C23H22O2/c1-2-3-7-23-21(20-6-4-5-8-22(20)25-23)14-16-9-10-18-15-19(24)12-11-17(18)13-16/h4-6,8-13,15,24H,2-3,7,14H2,1H3
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 1.30E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086971
PNG
(2-[4'-(2-Benzyl-benzofuran-3-yl)-biphenyl-4-yloxy]...)
Show SMILES CC(Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12)C(O)=O
Show InChI InChI=1S/C30H24O4/c1-20(30(31)32)33-25-17-15-23(16-18-25)22-11-13-24(14-12-22)29-26-9-5-6-10-27(26)34-28(29)19-21-7-3-2-4-8-21/h2-18,20H,19H2,1H3,(H,31,32)
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 1.32E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086907
PNG
(3,5-Dibromo-4''-[(2-butyl-benzofuran-3-yl)-hydroxy...)
Show SMILES CCCCc1oc2ccccc2c1C(O)c1ccc(cc1)-c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C25H22Br2O3/c1-2-3-7-22-23(18-6-4-5-8-21(18)30-22)24(28)16-11-9-15(10-12-16)17-13-19(26)25(29)20(27)14-17/h4-6,8-14,24,28-29H,2-3,7H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086889
PNG
(CHEMBL24096 | [1-Bromo-6-(2-butyl-benzofuran-3-ylm...)
Show SMILES CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(OCC(O)=O)ccc2c1
Show InChI InChI=1S/C25H23BrO4/c1-2-3-7-22-20(19-6-4-5-8-21(19)30-22)14-16-9-11-18-17(13-16)10-12-23(25(18)26)29-15-24(27)28/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086895
PNG
(3-Phenyl-2-[4'-(2-pyridin-2-ylmethyl-benzo[b]thiop...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccn2)sc2ccccc12
Show InChI InChI=1S/C35H27NO3S/c37-35(38)31(22-24-8-2-1-3-9-24)39-29-19-17-26(18-20-29)25-13-15-27(16-14-25)34-30-11-4-5-12-32(30)40-33(34)23-28-10-6-7-21-36-28/h1-21,31H,22-23H2,(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 1.55E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086982
PNG
(2-{3'-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazo...)
Show SMILES Cc1oc(nc1-c1cccc(c1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H24F3NO4/c1-20-29(36-30(39-20)23-10-14-26(15-11-23)32(33,34)35)25-9-5-8-24(19-25)22-12-16-27(17-13-22)40-28(31(37)38)18-21-6-3-2-4-7-21/h2-17,19,28H,18H2,1H3,(H,37,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086928
PNG
(2-(4'-(2-butylbenzofuran-3-yl)biphenyl-4-yloxy)ace...)
Show SMILES CCCCc1oc2ccccc2c1-c1ccc(cc1)-c1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C26H24O4/c1-2-3-7-24-26(22-6-4-5-8-23(22)30-24)20-11-9-18(10-12-20)19-13-15-21(16-14-19)29-17-25(27)28/h4-6,8-16H,2-3,7,17H2,1H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50409191
PNG
(CHEMBL365490)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H28O4/c37-36(38)34(24-26-11-5-2-6-12-26)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-31-13-7-8-14-32(31)40-33(35)23-25-9-3-1-4-10-25/h1-22,34H,23-24H2,(H,37,38)/t34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.25E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against LAR


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50086965
PNG
(2-(4'-(2-benzylbenzo[b]thiophen-3-yl)-3,5-dibromob...)
Show SMILES OC(=O)COc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12
Show InChI InChI=1S/C29H20Br2O3S/c30-23-15-21(16-24(31)29(23)34-17-27(32)33)19-10-12-20(13-11-19)28-22-8-4-5-9-25(22)35-26(28)14-18-6-2-1-3-7-18/h1-13,15-16H,14,17H2,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant protein tyrosine phosphatase 1b (PTP1B)


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (human))
BDBM50409191
PNG
(CHEMBL365490)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12
Show InChI InChI=1S/C36H28O4/c37-36(38)34(24-26-11-5-2-6-12-26)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-31-13-7-8-14-32(31)40-33(35)23-25-9-3-1-4-10-25/h1-22,34H,23-24H2,(H,37,38)/t34-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
in vitro inhibitory activity against Dual specificity protein phosphatase 3


J Med Chem 43: 1293-310 (2001)


Article DOI: 10.1021/jm990560c
BindingDB Entry DOI: 10.7270/Q2W958FT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%