BDBM50336348 4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668022

SMILES CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1

InChI Key InChIKey=GWNOTCOIYUNTQP-VMPREFPWSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50336348   

TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336348(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50:  447nMAssay Description:Antagonist activity at human CCR5 expressed in HOS cells assessed as inhibition of cell fusion with HIV gp120 expressing HEK293 cells by LTR lucifera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336348(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336348(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336348(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50:  5.10E+4nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336348(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50:  51nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336348(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50:  4.47E+5nMAssay Description:Antagonist activity against human CCR5 receptor assessed as inhibition of HIV1 gp120-induced cell-cell fusion between viral envolop protein expressin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336348(4-(4-(((S)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed