BDBM50090339 (R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-(2-cyano-4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL43491
SMILES: CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N
InChI Key: InChIKey=RQTZTSPFFYDZKA-HSZRJFAPSA-N
Data: 7 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50090339 ((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description In vitro antagonism at Alpha-1A adrenergic receptor | Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50090339 ((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description Selectivity screen against human Histamine H1 receptor | Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50090339 ((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description In vitro antagonism at Alpha-1B adrenergic receptor | Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50090339 ((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description In vivo inhibitory effect of the compound against alpha-2b Adrenergic receptor | Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50090339 ((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description In vitro antagonism at Alpha-1D adrenergic receptor | Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50090339 ((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description In vivo inhibitory effect against Alpha-2A adrenergic receptor | Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50090339 ((R)-4-(3,4-Difluoro-phenyl)-2-methyl-6-oxo-1,4,5,6...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Curated by ChEMBL | Assay Description In vivo inhibitory effect of the compound against Alpha-2C adrenergic receptor | Bioorg Med Chem Lett 10: 1625-8 (2000) BindingDB Entry DOI: 10.7270/Q2445KQK | |||||||||||
More data for this Ligand-Target Pair |