BDBM50322288 4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)benzoic acid hydrochloride::CHEMBL1170878

SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1

InChI Key InChIKey=YTCAJFHLKWZALU-LJAQVGFWSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50322288   

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

Curated by ChEMBL
LigandPNGBDBM50322288(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Affinity DataIC50:  87.1nMAssay 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
LigandPNGBDBM50322288(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Affinity DataIC50:  8.80E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50322288(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Affinity DataIC50:  13nMAssay Description:Antagonist activity at human CCR5 receptor expressed in CHO cells assessed as inhibition of MIP-1-alpha-stmulated calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50322288(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Affinity DataIC50:  2.49E+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
LigandPNGBDBM50322288(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Affinity DataIC50:  13nMAssay 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
TargetCytochrome P450 2D6(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50322288(4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed