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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 = 'BDBM50239529'   
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))		BDBM50239529
PNG
(CHEMBL4072033)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1cccs1
Show InChI InChI=1S/C21H22ClN5O3S2/c1-15-17(22)5-2-6-19(15)32(29,30)27-11-9-26(10-12-27)20-8-7-18(24-25-20)21(28)23-14-16-4-3-13-31-16/h2-8,13H,9-12,14H2,1H3,(H,23,28)
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UniChem

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



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...

J Med Chem 60: 4279-4292 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00182
BindingDB Entry DOI: 10.7270/Q22N54F5
More data for this
Ligand-Target Pair