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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 = 'BDBM50239515'   
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))		BDBM50239515
PNG
(CHEMBL4061657)
Show SMILES Cc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C23H24FN5O3S/c1-17-4-2-3-5-21(17)33(31,32)29-14-12-28(13-15-29)22-11-10-20(26-27-22)23(30)25-16-18-6-8-19(24)9-7-18/h2-11H,12-16H2,1H3,(H,25,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 65n/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