BDBM50574768 CHEMBL4848577

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N3)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC2=O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N1CCC[C@H]1C(O)=O

InChI Key InChIKey=FUXOFCQWUJROPU-UHFFFAOYSA-N

Data  1 KI  1 EC50

  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 = 50574768   

TargetKappa-type opioid receptor(Mouse)
Medical University of Vienna

Curated by ChEMBL
LigandPNGBDBM50574768(CHEMBL4848577)
Affinity DataKi:  1.20E+3nMAssay Description:Displacement of [3H]-DPN from mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition constant incubated for 1 hr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Mouse)
Medical University of Vienna

Curated by ChEMBL
LigandPNGBDBM50574768(CHEMBL4848577)
Affinity DataEC50:  6.02E+4nMAssay Description:Agonist activity at mouse kappa opioid receptor stably expressed in HEK293 cell membrane assessed as inhibition of forskolin induced cAMP production ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed