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BDBM50441788 CHEMBL2436033

SMILES: OC(=O)c1ccccc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12

InChI Key: InChIKey=VBGFASZXUVWNJQ-SJVFTIDDNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441788   
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))
BDBM50441788
PNG
(CHEMBL2436033)
Show SMILES OC(=O)c1ccccc1NC(=O)c1nc(sc1-c1ccccc1)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCc1c[nH]c2ccccc12
Show InChI InChI=1/C43H36N4O5S/c48-38(24-21-31-26-44-35-17-9-7-15-33(31)35)45-37(25-28-19-22-32(23-20-28)52-27-29-11-3-1-4-12-29)42-47-39(40(53-42)30-13-5-2-6-14-30)41(49)46-36-18-10-8-16-34(36)43(50)51/h1-20,22-23,26,37,44H,21,24-25,27H2,(H,45,48)(H,46,49)(H,50,51)/t37-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.56E+3n/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