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BDBM50260214 CHEMBL4080322

SMILES: COC(=O)Cc1c(C)[nH]c2c(c(C)nn2c1=O)-c1ccc(OC)c(OC)c1

InChI Key: InChIKey=POFFAKHAWVMNIV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50260214   
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
dCTP pyrophosphatase 1


(Homo sapiens (Human))		BDBM50260214
PNG
(CHEMBL4080322)
Show SMILES COC(=O)Cc1c(C)[nH]c2c(c(C)nn2c1=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H21N3O5/c1-10-13(9-16(23)27-5)19(24)22-18(20-10)17(11(2)21-22)12-6-7-14(25-3)15(8-12)26-4/h6-8,20H,9H2,1-5H3
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapted malachite green assay

Bioorg Med Chem Lett 27: 3219-3225 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.039
BindingDB Entry DOI: 10.7270/Q29K4DPQ
More data for this
Ligand-Target Pair