null
SMILES: Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1)c1ccc(F)cc1
InChI Key: InChIKey=HWCBLDPYKRZMKJ-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM50208006 (3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Via Zambeletti 25 Curated by ChEMBL | Assay Description Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells | J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human)) | BDBM50208006 (3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Via Zambeletti 25 Curated by ChEMBL | Assay Description Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells | J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50208006 (3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Via Zambeletti 25 Curated by ChEMBL | Assay Description Inhibition of human CYP2D6 expressed in insect cells | J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50208006 (3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Via Zambeletti 25 Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 expressed in insect cells | J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50208006 (3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Via Zambeletti 25 Curated by ChEMBL | Assay Description Inhibition of human CYP2C9 expressed in insect cells | J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50208006 (3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Via Zambeletti 25 Curated by ChEMBL | Assay Description Inhibition of human CYP2C19 expressed in insect cells | J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50208006 (3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Via Zambeletti 25 Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 expressed in insect cells | J Med Chem 50: 1571-83 (2007) Article DOI: 10.1021/jm061159a BindingDB Entry DOI: 10.7270/Q2QV3M61 | |||||||||||
More data for this Ligand-Target Pair |