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BDBM50307347 CHEMBL1783614

SMILES: COc1cc2nc(\C=C\c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC

InChI Key: InChIKey=CUEWFKKSDBVPIS-AATRIKPKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50307347   
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 1


(Homo sapiens (Human))		BDBM50307347
PNG
(CHEMBL1783614)
Show SMILES COc1cc2nc(\C=C\c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC
Show InChI InChI=1S/C24H30N6O4S/c1-33-21-14-19-20(15-22(21)34-2)28-23(6-5-18-4-3-10-26-16-18)29-24(19)30-12-8-17(9-13-30)7-11-27-35(25,31)32/h3-6,10,14-17,27H,7-9,11-13H2,1-2H3,(H2,25,31,32)/b6-5+
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Article
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 58n/an/an/an/an/an/an/an/a



Universit£ Laval

Curated by ChEMBL


Assay Description
Inhibition of human GFP-fused NPP1 expressed in COS7 cells using pnp-TMP as substrate after 60 mins

Eur J Med Chem 147: 130-149 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.094
BindingDB Entry DOI: 10.7270/Q2280B4X
More data for this
Ligand-Target Pair