BindingDB logo
myBDB logout

PDB code 6F20

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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
7,8-dihydro-8-oxoguanine triphosphatase

  (156/156 = 100%)
(Homo sapiens (Human))
BDBM50255614
PNG
(CHEMBL4087054)
Show SMILES CCOC(=O)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in C57 mouse whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 1 hr followed...


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)
MutT homolog 1 protein (MTH1)

  (156/156 = 100%)
(Homo sapiens (Human))
BDBM50255614
PNG
(CHEMBL4087054)
Show SMILES CCOC(=O)c1ccnc2[nH]ccc12
Show InChI InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 4.95E+4n/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full length N-terminal His tagged-MTH1 expressed in Escherichia coli at 3 mM by isothermal titration calorimetr...


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