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BDBM50086980 2-(4'-(2-benzylbenzofuran-3-yl)-4-hydroxybiphenyl-3-ylcarbamoyl)benzoic acid::CHEMBL284363::N-[4'-(2-Benzyl-benzofuran-3-yl)-4-hydroxy-biphenyl-3-yl]-phthalamic acid

SMILES: OC(=O)c1ccccc1C(=O)Nc1cc(ccc1O)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12

InChI Key: InChIKey=CYTWCLJZNYAHRM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50086980   
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))
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

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 158n/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))
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
CHEMBL
KEGG
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