BDBM50067935 (2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine::(2S,3S)-N-(2-methoxy-5-(trifluoromethoxy)benzyl)-2-phenylpiperidin-3-amine::CHEMBL319118::CP-122721
SMILES: COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChI Key: InChIKey=ZIWFCOIGUNPHPM-HKUYNNGSSA-N
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 |
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Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Binding affinity to human CYP2D6 using bufuralol as substrate | Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells | Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cells | Bioorg Med Chem Lett 8: 281-4 (1999) BindingDB Entry DOI: 10.7270/Q2Z60PK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL | Assay Description Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting | Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-labelled substance P from cloned human NK1 receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells | J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50067935 ((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells | Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN | |||||||||||
More data for this Ligand-Target Pair |