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BDBM50511431 CHEMBL4468099

SMILES: CNC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C

InChI Key: InChIKey=XFIMHKCNXAAJKM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50511431   
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
7,8-dihydro-8-oxoguanine triphosphatase


(Homo sapiens (Human))		BDBM50511431
PNG
(CHEMBL4468099)
Show SMILES CNC(=O)Nc1cc2NCCCc2c(n1)-c1cccc(C)c1C
Show InChI InChI=1S/C18H22N4O/c1-11-6-4-7-13(12(11)2)17-14-8-5-9-20-15(14)10-16(21-17)22-18(23)19-3/h4,6-7,10,20H,5,8-9H2,1-3H3,(H2,19,21,22,23)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.0500n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant human His-tagged MTH1 expressed in Escherichia coli BL21 (DE3) using 8-oxo-dGTP as substrate incubated for 15 mins fo...

ACS Med Chem Lett 11: 358-364 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00420
More data for this
Ligand-Target Pair