BDBM699870 (S)-2-(3-(1-(4-Azaspiro[2.4]heptane-5-carbonyl)piperidine-4-carbonyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-1-yl)-N-ethyl-5-fluoro-N-isopropylbenzamide (separated atropisomers)::US20240335431, Example 49-2

SMILES CCN(C(C)C)C(=O)c1cc(F)ccc1-n1c(C)c(C(=O)C2CCN(CC2)C(=O)[C@H]2CCC3(CC3)N2)c2ccncc12

InChI Key InChIKey=WASFXIBCXQFAJU-UHFFFAOYSA-N

Data  1 KI  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 2 hits for monomerid = 699870   

TargetMenin(Human)
Acerta Pharma

US Patent
LigandPNGBDBM699870((S)-2-(3-(1-(4-Azaspiro[2.4]heptane-5-carbonyl)pip...)
Affinity DataIC50: 29nMAssay Description:Compounds were tested in a biochemical binding assay using Menin protein at 2 nM (N6his-tev-Menin_4i80, PB-20-1459) and the substrate cRho110-Ahx-MBM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2025
Entry Details
US Patent

TargetMuscarinic acetylcholine receptor M2(Human)
Acerta Pharma

US Patent
LigandPNGBDBM699870((S)-2-(3-(1-(4-Azaspiro[2.4]heptane-5-carbonyl)pip...)
Affinity DataKi:  2.74E+4nMAssay Description:Cell membrane homogenates (60 μg protein) were incubated for 60 minutes at 22° C. with 2 nM [3H]AF-DX 384 in the absence or presence of the test...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2025
Entry Details
US Patent