BDBM50583787 CHEMBL5071060

SMILES [H][C@]12CC[C@]([H])(CC(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  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 5 hits for monomerid = 50583787   

TargetC-C chemokine receptor type 5(Crab-eating macaque)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50583787(CHEMBL5071060)
Affinity DataKi:  2.40nMAssay Description:Displacement of [125I]1-alpha from recombinant rhesus macaque CCR5 expressed in Chem-1 cells incubated for 90 mins by competitive radioligand binding...More 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
LigandPNGBDBM50583787(CHEMBL5071060)
Affinity DataIC50: 40nMAssay 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
TargetMu-type opioid receptor(Mouse)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50583787(CHEMBL5071060)
Affinity DataKi:  52nMAssay 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
TargetC-C chemokine receptor type 5(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50583787(CHEMBL5071060)
Affinity DataIC50: 126nMAssay 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
TargetC-C chemokine receptor type 5(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50583787(CHEMBL5071060)
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of CCR5-mediated HIV-1 Bal entry in human GHOST CCR5 cells assessed as decrease in viral reverse transcriptase activity by measuring [3H]t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed