BDBM50198939 (R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4-phenoxy-benzyl)-1,4,9-triaza-spiro[5.5]undecane-2,5-dione hydrochloride::CHEMBL559168
SMILES: CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C
InChI Key: InChIKey=WUTCDIFLPLKLBC-CLJLJLNGSA-N
Data: 7 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50198939 ((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd Curated by ChEMBL | Assay 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... | Bioorg Med Chem Lett 21: 1141-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.109 BindingDB Entry DOI: 10.7270/Q24T6JP0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50198939 ((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | Bioorg Med Chem Lett 21: 1141-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.109 BindingDB Entry DOI: 10.7270/Q24T6JP0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50198939 ((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | Bioorg Med Chem Lett 21: 1141-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.109 BindingDB Entry DOI: 10.7270/Q24T6JP0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50198939 ((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Displacement of [125I]MIP1-alpha from human CCR5 expressed in CHO cells | Bioorg Med Chem Lett 17: 727-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.084 BindingDB Entry DOI: 10.7270/Q2XK8GCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50198939 ((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1alpha-induced calcium mobilization Ca assay | Bioorg Med Chem Lett 21: 1141-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.109 BindingDB Entry DOI: 10.7270/Q24T6JP0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 5 (Homo sapiens (Human)) | BDBM50198939 ((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Antagonist activity at human CCR5 expressed in CHO cells assessed as inhibition of MIP-1-alpha-stimulated calcium mobilization | Bioorg Med Chem Lett 17: 727-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.084 BindingDB Entry DOI: 10.7270/Q2XK8GCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50198939 ((R)-1-butyl-3-((R)-1-hydroxy-2-methyl-propyl)-9-(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ono Pharmaceutical Co., Ltd Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 21: 1141-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.109 BindingDB Entry DOI: 10.7270/Q24T6JP0 | |||||||||||
More data for this Ligand-Target Pair |