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BDBM50441781 CHEMBL2436043

SMILES: OC(=O)c1ccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c(F)c1

InChI Key: InChIKey=CVEZSZMYAOIEHQ-SJVFTIDDNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441781   
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))
BDBM50441781
PNG
(CHEMBL2436043)
Show SMILES OC(=O)c1ccc(NC(=O)c2nc(sc2-c2ccccc2)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)c(F)c1
Show InChI InChI=1/C43H35FN4O5S/c44-34-24-30(43(51)52)17-21-36(34)47-41(50)39-40(29-11-5-2-6-12-29)54-42(48-39)37(46-38(49)22-18-31-25-45-35-14-8-7-13-33(31)35)23-27-15-19-32(20-16-27)53-26-28-9-3-1-4-10-28/h1-17,19-21,24-25,37,45H,18,22-23,26H2,(H,46,49)(H,47,50)(H,51,52)/t37-/s2
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 770n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 2 mins by colorimetric analysis


Eur J Med Chem 69: 399-412 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.017
BindingDB Entry DOI: 10.7270/Q2VM4DP1
More data for this
Ligand-Target Pair