BDBM50198936 (R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL536754

SMILES CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1

InChI Key InChIKey=KABRIFIVQZQNHA-FQLXRVMXSA-N

Data  9 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50198936   

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

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  7.76nMAssay 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
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  9.80E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  53nMAssay Description:Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated 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
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  5.30E+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
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  7.80E+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 DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  1.10nMAssay Description:Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50198936((R)-1-butyl-3-((R)-cyclohexyl-hydroxy-methyl)-9-(4...)
Affinity DataIC50:  53nMAssay 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