BindingDB logo
myBDB logout

null

SMILES: COC(=O)c1nc(N)nc(Nc2cc(F)c(I)c(F)c2)n1

InChI Key:

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 3 hits for monomerid = 50582696   
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
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50582696
PNG
(CHEMBL5076595)
Show SMILES COC(=O)c1nc(N)nc(Nc2cc(F)c(I)c(F)c2)n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human cGAS assessed as reduction in 2,3-cGAMP synthesis by measuring ATP consumption incubated for 20 mins by Kinase Glo luminescence a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00398
BindingDB Entry DOI: 10.7270/Q2RF5ZXH
More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50582696
PNG
(CHEMBL5076595)
Show SMILES COC(=O)c1nc(N)nc(Nc2cc(F)c(I)c(F)c2)n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114645
BindingDB Entry DOI: 10.7270/Q2SQ94GB
More data for this
Ligand-Target Pair
Cyclic GMP-AMP synthase


(Homo sapiens)
BDBM50582696
PNG
(CHEMBL5076595)
Show SMILES COC(=O)c1nc(N)nc(Nc2cc(F)c(I)c(F)c2)n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128101
BindingDB Entry DOI: 10.7270/Q2W95F4V
More data for this
Ligand-Target Pair