BDBM50336345 4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride::APLAVIROC::CHEMBL1668019

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  14 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50336345   

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

Curated by ChEMBL
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 5.62nMAssay 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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 3.00E+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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 34nMAssay 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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 5.80nMAssay Description:Displacement of MIP-1alpha from human CCR5 expressed in CHO cellsMore 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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 5.80nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced chemotaxisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at CXCR4 assessed as inhibition of SDF1-induced calcium mobilizationMore 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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 46nMAssay Description:Antagonist activity at human CCR5 assessed as inhibition of RANTES-induced calcium mobilizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Rabbit)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at rabbit CCR5 assessed as inhibition of RANTES-induced calcium mobilizationMore 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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 5.60E+3nMAssay 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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 3.40E+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
TargetC-C chemokine receptor type 5(Rat)
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 3.00E+4nMAssay Description:Antagonist activity at rat CCR5 assessed as inhibition of RANTES-induced calcium mobilizationMore 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
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataKd:  3nMAssay Description:Binding affinity to CCR5More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-C chemokine receptor type 5(Mouse)
Nirma University

Curated by ChEMBL
LigandPNGBDBM50336345(APLAVIROC | CHEMBL1668019 | 4-(4-(((R)-1-butyl-3-(...)
Affinity DataIC50: 0.400nMAssay Description:Displacement of [125I]-RANTES from CCR5 in mouse NIH/3T3 cells after 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2020
Entry Details Article
PubMed