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PDB code 6F1X

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MutT homolog 1 protein (MTH1)

  (156/156 = 100%)
(Homo sapiens (Human))
BDBM50255618
PNG
(CHEMBL4104130)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01884
BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output