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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dCTP pyrophosphatase 1' and Ligand = 'BDBM38321'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
dCTP pyrophosphatase 1


(Homo sapiens (Human))		BDBM38321
PNG
(6-(3,4-dimethoxyphenyl)-3-(2-furanyl)-[1,2,4]triaz...)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O3S/c1-20-10-6-5-9(8-12(10)21-2)14-18-19-13(11-4-3-7-22-11)16-17-15(19)23-14/h3-8H,1-2H3
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MMDB

KEGG

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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand

J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair