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BDBM50511454 CHEMBL4460228

SMILES: Cc1cccc(c1C)-c1nc(NC(=O)C(F)F)cc2NCCCc12

InChI Key: InChIKey=VCRHYTWUCCKHCT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50511454   
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))		BDBM50511454
PNG
(CHEMBL4460228)
Show SMILES Cc1cccc(c1C)-c1nc(NC(=O)C(F)F)cc2NCCCc12
Show InChI InChI=1S/C18H19F2N3O/c1-10-5-3-6-12(11(10)2)16-13-7-4-8-21-14(13)9-15(22-16)23-18(24)17(19)20/h3,5-6,9,17,21H,4,7-8H2,1-2H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.110n/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