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BDBM50511441 CHEMBL4464305

SMILES: CNc1cc(nc(N)n1)N1CCCc2ccccc12

InChI Key: InChIKey=BMYAPQYNBWMUBP-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50511441   
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))		BDBM50511441
PNG
(CHEMBL4464305)
Show SMILES CNc1cc(nc(N)n1)N1CCCc2ccccc12
Show InChI InChI=1S/C14H17N5/c1-16-12-9-13(18-14(15)17-12)19-8-4-6-10-5-2-3-7-11(10)19/h2-3,5,7,9H,4,6,8H2,1H3,(H3,15,16,17,18)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/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