BDBM50590142 CHEMBL5170487

SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC2=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(O)=O)C(O)=O

InChI Key InChIKey=UOKCZWBEALCFGW-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50590142   

TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50590142(CHEMBL5170487)
Affinity DataIC50: 4.60E+4nMAssay Description:Negative allosteric modulation activity at alpha7 nAChR in human SH-SY5Y cells assessed as inhibition of choline induced intracellular calcium by FLI...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed