BDBM699868 2-(3-(1-((1S,2S,5R)-3-Azabicyclo[3.1.0-]hexane-2-carbonyl)piperidine-4-carbonyl)-2-methyl-1H-pyrrolo[2,3-c]pyridin-1-yl)-N-ethyl-5-fluoro-N-isopropylbenzamide (separated atropisomers)::US20240335431, Example 48-2

SMILES CCN(C(C)C)C(=O)c1cc(F)ccc1-n1c(C)c(C(=O)C2CCN(CC2)C(=O)[C@@H]2NC[C@@H]3C[C@H]23)c2ccncc12

InChI Key InChIKey=MIILIGDIYCUWHW-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 = 699868   

TargetMenin(Human)
Acerta Pharma

US Patent
LigandPNGBDBM699868(2-(3-(1-((1S,2S,5R)-3-Azabicyclo[3.1.0-]hexane-2-c...)
Affinity DataIC50: 13nMAssay 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
LigandPNGBDBM699868(2-(3-(1-((1S,2S,5R)-3-Azabicyclo[3.1.0-]hexane-2-c...)
Affinity DataKi:  1.90E+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