BDBM50336346 4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::CHEMBL1668020

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

InChI Key InChIKey=GWNOTCOIYUNTQP-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50336346   

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

Curated by ChEMBL
LigandPNGBDBM50336346(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: 182nMAssay 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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336346(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336346(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336346(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336346(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: 44nMAssay 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 Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336346(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: 1.82E+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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Human)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336346(4-(4-(((R)-1-butyl-3-((S)-cyclohexyl(hydroxy)methy...)
Affinity DataIC50: 4.40E+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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed