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BDBM50307995 2-(2-Carboxy-benzoylamino)-4-(40-methoxy-biphenyl-4-yl)-thiophene-3-carboxylic acid ethyl ester::CHEMBL603684

SMILES: CCOC(=O)c1c(NC(=O)c2ccccc2C(O)=O)scc1-c1ccc(cc1)-c1ccc(OC)cc1

InChI Key: InChIKey=RKLNQHWYOSBKDH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307995   
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))
BDBM50307995
PNG
(2-(2-Carboxy-benzoylamino)-4-(40-methoxy-biphenyl-...)
Show SMILES CCOC(=O)c1c(NC(=O)c2ccccc2C(O)=O)scc1-c1ccc(cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C28H23NO6S/c1-3-35-28(33)24-23(19-10-8-17(9-11-19)18-12-14-20(34-2)15-13-18)16-36-26(24)29-25(30)21-6-4-5-7-22(21)27(31)32/h4-16H,3H2,1-2H3,(H,29,30)(H,31,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) after 10 mins by spectrophotometry


Bioorg Med Chem 18: 1773-82 (2010)


Article DOI: 10.1016/j.bmc.2010.01.055
BindingDB Entry DOI: 10.7270/Q2X06811
More data for this
Ligand-Target Pair