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 = 'BDBM168619'   

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))	BDBM168619 (US9079852, Table F, Compound 4) Show SMILES NC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H25ClN4O3/c21-15-1-5-17(6-2-15)25-11-9-24(10-12-25)13-18(26)14-28-19-7-3-16(4-8-19)23-20(22)27/h1-8,18,26H,9-14H2,(H3,22,23,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Emory University; NeurOp, Inc. US Patent					Assay Description Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...				US Patent US9079852 (2015) BindingDB Entry DOI: 10.7270/Q2K35SF5
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