BDBM685903 WO2020/142729, Example 25

SMILES Cc1nc(N2C[C@@H](Cc3nn[nH]n3)C[C@H]2C(O)=O)c2oc3ccccc3c2n1

InChI Key InChIKey=KRKUUMZEZGBHPK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 685903   

TargetCyclic GMP-AMP synthase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM685903(WO2020/142729, Example 25)
Affinity DataIC50: 55nMAssay Description:in vitro human biochemical cGAS inhibition.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
US Patent

TargetCyclic GMP-AMP synthase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM685903(WO2020/142729, Example 25)
Affinity DataIC50: 55nMAssay Description:PKC-theta and PKC-delta biochemical activities were measured using the PKC-theta HTRF KinEASEkit kit, according to manufacturer's instructions (C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/4/2024
Entry Details
US Patent

TargetCyclic GMP-AMP synthase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM685903(WO2020/142729, Example 25)
Affinity DataIC50: 55nMAssay Description:Compounds were delivered in 10 mM DMSO solution, serially diluted and transferred to the 384 well assay plate (Greiner #781201) using an Echo acousti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2025
Entry Details
US Patent