BDBM50068835 1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid phenyl ester::CHEMBL358406
SMILES: CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)Oc1ccccc1)c1ccccc1
InChI Key: InChIKey=SXRUGRZXULZCBB-UHFFFAOYSA-N
Data: 3 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)) | BDBM50068835 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Binding affinity was determined for the alpha-1A adrenergic receptor | J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50068835 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Binding affinity was determined for the alpha-1B adrenergic receptor | J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50068835 (1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 585 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Binding affinity was determined for the alpha-1D adrenergic receptor | J Med Chem 41: 5320-33 (1999) Article DOI: 10.1021/jm980506g BindingDB Entry DOI: 10.7270/Q2R78DCS | |||||||||||
More data for this Ligand-Target Pair |