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BDBM50162075 CHEMBL3794167

SMILES: CNc1nc2OCCOCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3

InChI Key: InChIKey=OJHLJXROBUJUPQ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162075   
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
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50162075
PNG
(CHEMBL3794167)
Show SMILES CNc1nc2OCCOCCOc3cccc(Cn4c(n2)c1[nH]c4=O)c3
Show InChI InChI=1S/C17H19N5O4/c1-18-14-13-15-21-16(20-14)26-8-6-24-5-7-25-12-4-2-3-11(9-12)10-22(15)17(23)19-13/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,18,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MTH1 (unknown origin) using 8-oxo-dGTP as substrate


J Med Chem 59: 2343-5 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00283
BindingDB Entry DOI: 10.7270/Q2VX0JDP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)