BDBM50590141 CHEMBL5176133

SMILES CCCC[C@@H]1N[C@@H](CO)C(=O)NCC(=O)N[C@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)CN)C(=O)N[C@@H](CO)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)N[C@@H](CCCC)C(=O)NC2=O)[C@@H](C)O)C(O)=O)C(=O)NC1=O)C(C)C

InChI Key InChIKey=KJQRFXNTNLAISS-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50590141   

TargetAcetylcholine-binding protein(Great pond snail)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50590141(CHEMBL5176133)
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H]-epibatidine from recombinant Lymnaea stagnalis Acetylcholine-binding protein by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
The University of Queensland

Curated by ChEMBL
LigandPNGBDBM50590141(CHEMBL5176133)
Affinity DataIC50: 23nMAssay 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