BDBM50253754 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-methyl-2,2-diphenylbutanamide::CHEMBL1627
SMILES: CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
InChI Key: InChIKey=ZMOPTLXEYOVARP-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 |
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Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from mu opioid receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]Pentazocine from rat sigma 1 receptor in rat PC12 cells | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [125I]HEAT from adrenergic alpha2A receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]N-methylspiperone from dopamine D4 receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 Receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]tiotidine from human histamine H2 receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [125I]HEAT from adrenergic Alpha-2C receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from human SERT | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [125I]HEAT from adrenergic alpha2B receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [3H]alpha-methylhistamine from human histamine H3 receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health Curated by ChEMBL | Assay Description Displacement of [125I]HEAT from adrenergic alpha1A receptor | J Med Chem 51: 6034-43 (2008) Article DOI: 10.1021/jm800510m BindingDB Entry DOI: 10.7270/Q2BV7GFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human)) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 483 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human Nav1.5 channel expressed in HEK293 cells at holding potential of -70 mV by whole cell patch clamp assay | Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.020 BindingDB Entry DOI: 10.7270/Q2HM5C1C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50253754 (4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human ERG expressed in HEK293 cells at holding potential of -80 mV by whole cell patch clamp assay | Citation and Details Article DOI: 10.1016/j.bmcl.2017.12.020 BindingDB Entry DOI: 10.7270/Q2HM5C1C | |||||||||||
More data for this Ligand-Target Pair |