Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50016963'   

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))	BDBM50016963 (2-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12 Show InChI InChI=1S/C23H24N4O2S/c28-22-17-5-1-2-6-18(17)23(29)27(22)11-4-3-10-25-12-14-26(15-13-25)21-19-8-16-30-20(19)7-9-24-21/h1-2,5-9,16H,3-4,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Company Curated by ChEMBL					Assay Description Ability to bind at alpha-1 adrenergic receptor by displacing [3H]WB-4101				J Med Chem 32: 1147-56 (1989) BindingDB Entry DOI: 10.7270/Q2HD7W8D
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