BDBM50102244 4-(2-Chloro-phenyl)-1-[3-(2-oxo-5-thioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-propyl]-piperidine-4-carbonitrile::CHEMBL60452
SMILES: Cc1ccc(cc1)C1(CC(=S)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
InChI Key: InChIKey=IEMRAOUETYELPW-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)) | BDBM50102244 (4-(2-Chloro-phenyl)-1-[3-(2-oxo-5-thioxo-3,3-di-p-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 220 | 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 binding affinity towards cloned human Alpha-1A adrenergic receptor | Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50102244 (4-(2-Chloro-phenyl)-1-[3-(2-oxo-5-thioxo-3,3-di-p-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | >2.00E+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 binding affinity towards cloned human Alpha-1B adrenergic receptor | Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50102244 (4-(2-Chloro-phenyl)-1-[3-(2-oxo-5-thioxo-3,3-di-p-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | >5.00E+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 binding affinity towards cloned human Alpha-1D adrenergic receptor | Bioorg Med Chem Lett 11: 1959-62 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NXK | |||||||||||
More data for this Ligand-Target Pair |