Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50002338'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Displacement of [3H]WB-4101 from alpha-1 adrenergic receptor in rat brain				J Med Chem 31: 454-61 (1988) BindingDB Entry DOI: 10.7270/Q25T3JGG
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro affinity for cortical alpha-1 adrenergic receptor labelled with [3H]WB-4101				J Med Chem 29: 359-69 (1986) BindingDB Entry DOI: 10.7270/Q24X58C9
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50002338 ((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...) Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1 Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro				J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV
					More data for this Ligand-Target Pair