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BDBM227637 MTH1 inhibitor, 131

SMILES: C\C(CO)=C/CNc1ncnc2[nH]cnc12

InChI Key: InChIKey=UZKQTCBAMSWPJD-FARCUNLSSA-N

Data: 2 IC50

PDB links: 10 PDB IDs match 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 2 hits for monomerid = 227637   
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))
BDBM227637
PNG
(MTH1 inhibitor, 131)
Show SMILES C\C(CO)=C/CNc1ncnc2[nH]cnc12
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...


Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM227637
PNG
(MTH1 inhibitor, 131)
Show SMILES C\C(CO)=C/CNc1ncnc2[nH]cnc12
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/a7.5n/a



RIKEN Center for Life Science Technologies



Assay Description
Enzymatic reaction was initiated by adding either 8-oxo-dGTP (13.2 μm; TriLink BioTechnologies) or 2-OH-dATP (8.3 μm; Jena Bioscience) to r...


Chem Biol Drug Des 89: 862-869 (2017)


Article DOI: 10.1111/cbdd.12909
BindingDB Entry DOI: 10.7270/Q24748RZ
More data for this
Ligand-Target Pair