BDBM50583786 CHEMBL5074037

SMILES [H][C@]12CC[C@]([H])(CC(C1)n1c(CCNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]3CC[C@@]4(O)[C@@]5([H])Cc6ccc(O)c7O[C@]3([H])[C@]4(CCN5CC3CC3)c67)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

InChI Key InChIKey=VCSVWIWFUOSSGV-UHFFFAOYSA-N

Data  1 KI  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 3 hits for monomerid = 50583786   

TargetMu-type opioid receptor(Mouse)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50583786(CHEMBL5074037)
Affinity DataKi:  4.20nMAssay Description:Displacement of [3H]-naloxone from mouse MOR expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetMu-type opioid receptor(Mouse)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50583786(CHEMBL5074037)
Affinity DataIC50: 1.10E+3nMAssay Description:Antagonist activity at mouse MOR expressed in CHO cells assessed as inhibition of DAMGO-induced calcium mobilization preincubated for 60 mins measure...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50583786(CHEMBL5074037)
Affinity DataIC50: 1.26E+3nMAssay Description:Antagonist activity at CCR5 (unknown origin) expressed in HOS cells co-expressing Gqi-5 assessed as inhibition CCL5-stimulated Ca2+ mobilization by c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed