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BDBM50335869 6-hydroxy-3-(1-(4-oxo-4-(pyren-1-ylamino)butyl)-1H-1,2,3-triazol-4-yl)-2-phenylbenzofuran-5-carboxylic acid::CHEMBL1649599

SMILES: Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc3ccc4cccc5ccc2c3c45)nn1)C(O)=O

InChI Key: InChIKey=VLAIUQHUWOOZAT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50335869   
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
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM50335869
PNG
(6-hydroxy-3-(1-(4-oxo-4-(pyren-1-ylamino)butyl)-1H...)
Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc3ccc4cccc5ccc2c3c45)nn1)C(O)=O
Show InChI InChI=1S/C38H28N4O5/c1-21-7-9-25(10-8-21)37-36(28-18-27(38(45)46)31(43)19-32(28)47-37)30-20-42(41-40-30)17-3-6-33(44)39-29-16-14-24-12-11-22-4-2-5-23-13-15-26(29)35(24)34(22)23/h2,4-5,7-16,18-20,43H,3,6,17H2,1H3,(H,39,44)(H,45,46)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair