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BDBM50086910 2-(4'-(2-benzylbenzofuran-3-yl)-3-cyclopentylbiphenyl-4-yloxy)acetic acid::CHEMBL282372::[4'-(2-Benzyl-benzofuran-3-yl)-3-cyclopentyl-biphenyl-4-yloxy]-acetic acid

SMILES: OC(=O)COc1ccc(cc1C1CCCC1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12

InChI Key: InChIKey=WFGFWZLACKQFFD-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50086910   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Tsinghua University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant PTP1B


Bioorg Med Chem Lett 20: 3329-37 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.033
BindingDB Entry DOI: 10.7270/Q27D2WCC
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
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