BDBM50514670 CHEMBL4555265

SMILES [H][C@]12CSSC[C@H](NC(=O)CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(CCCC(=O)NCCCCC(NC(=O)CCCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCC(=O)N[C@H]5CSSC[C@]6([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](CCCNC(N)=N)NC6=O)C(N)=O)NC5=O)nn4)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2

InChI Key InChIKey=YXKFMTLNLUJJKO-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50514670   

TargetNeuronal acetylcholine receptor; alpha9/alpha10(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50514670(CHEMBL4555265)
Affinity DataIC50: 39nMAssay Description:Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage cl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor; alpha9/alpha10(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50514670(CHEMBL4555265)
Affinity DataIC50: 117nMAssay Description:Inhibition of human alpha9alpha10 nAChR expressed in Xenopus laevis oocytes expressing alpha9:alpha10 mRNA injection ratio of 1:3 assessed as inhibit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
Ocean University of China

Curated by ChEMBL
LigandPNGBDBM50514670(CHEMBL4555265)
Affinity DataIC50: 63nMAssay Description:Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of ACh-evoked currents by two-electrode voltage clamp ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed