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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 = 'BDBM54958'   
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))		BDBM54958
PNG
(6-(3-methoxyphenyl)-3-(2-pyridinyl)-[1,2,4]triazol...)
Show SMILES COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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Similars
Article
PubMed
n/an/a 1.88E+3n/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