BDBM50090326 (R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-cyano-4-(2,4-difluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL295395
SMILES: CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1
InChI Key: InChIKey=WIVOLWKUZIBRAF-OAQYLSRUSA-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)) | BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | 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)) | BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 302 | 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)) | BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 842 | 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)) | BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 955 | 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)) | BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.16E+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 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-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.91E+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 | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50090326 ((R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.39E+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 |