BDBM688357 (1R,9S,11S,34S)-4-chloro-1,25,25-trifluoro-34-methyl-31-oxo-8,15-dioxa-6,12,23,32,37-pentaazaheptacyclo[30.2.2.19,12.113,24.02,7.014,22.016,21]octatriaconta-2,4,6,13,16,18,20,22,24::US20240189315, Example 05

SMILES C[C@H]1CN2CC[C@]1(F)c1cc(Cl)cnc1O[C@H]1C[C@H](N(C1)c1nc(nc3c1oc1ccccc31)C(F)(F)CCCCCC2=O)C(O)=O

InChI Key InChIKey=NZISRKNGXRFRIU-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 688357   

TargetCyclic GMP-AMP synthase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM688357(US20240189315, Example 05 | (1R,9S,11S,34S)-4-chlo...)
Affinity DataIC50: 12nMAssay 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