BDBM50558604 CHEMBL4748891

SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c6O[C@]2([H])[C@]3(CCN4CC2CC2)c56)cc1

InChI Key InChIKey=BAVVASQPMQMZER-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50558604   

TargetMu-type opioid receptor(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50558604(CHEMBL4748891)
Affinity DataIC50: 40nMAssay Description:Antagonist activity at human MOR transfected in CHO cells co-transfected with Gqi5 assessed as inhibition of DAMGO-induced calcium mobilization incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50558604(CHEMBL4748891)
Affinity DataIC50: 126nMAssay Description:Antagonist activity at CCR5 receptor in human MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium mobilization incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetMu-type opioid receptor(Mouse)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50558604(CHEMBL4748891)
Affinity DataKi:  3.20nMAssay Description:Displacement of [3H]NLX from mouse MOR expressed in CHO cell membrane incubated for 90 mins by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Crab-eating macaque)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50558604(CHEMBL4748891)
Affinity DataKi:  239nMAssay Description:Displacement of [125I]MIP-1alpha from CCR5 receptor in rhesus monkey membrane incubated for 120 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed