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SMILES: O=C(c1c(sc2cc(OS(=O)(=O)C3CCCCC3)ccc12)-c1ccc(OS(=O)(=O)C2CCCCC2)cc1)c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=HIYCUQXGGFBPJC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50504124   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3


(Homo sapiens (Human))		BDBM50504124
PNG
(CHEMBL4561757)
Show SMILES O=C(c1c(sc2cc(OS(=O)(=O)C3CCCCC3)ccc12)-c1ccc(OS(=O)(=O)C2CCCCC2)cc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C40H47NO8S3/c42-39(29-14-18-31(19-15-29)47-27-26-41-24-8-3-9-25-41)38-36-23-22-33(49-52(45,46)35-12-6-2-7-13-35)28-37(36)50-40(38)30-16-20-32(21-17-30)48-51(43,44)34-10-4-1-5-11-34/h14-23,28,34-35H,1-13,24-27H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human NPP3 expressed in COS-7 cell membranes assessed as reduction in p-nitrophenol production using pNP-TMP as substrate preincubated ...

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.07.063
BindingDB Entry DOI: 10.7270/Q2B85CD9
More data for this
Ligand-Target Pair