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BDBM50436360 CHEMBL2396723

SMILES: COc1ccc(CNC(=O)COc2ccc(cc2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1OC

InChI Key: InChIKey=ZPADSLQTACUIOL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436360   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436360
PNG
(CHEMBL2396723)
Show SMILES COc1ccc(CNC(=O)COc2ccc(cc2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H26ClNO8/c1-41-29-13-7-21(15-31(29)42-2)18-36-32(38)19-43-24-10-8-22(9-11-24)33-25(12-6-20-4-3-5-23(35)14-20)26-16-27(34(39)40)28(37)17-30(26)44-33/h3-5,7-11,13-17,37H,18-19H2,1-2H3,(H,36,38)(H,39,40)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair