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 = 'BDBM50102002'   

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))	BDBM50102002 (3-[4-(7-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-c...) Show SMILES COc1ccc2CCN(Cc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |wU:15.20,wD:12.13,(2.56,-10.89,;4.08,-10.89,;4.86,-9.57,;4.08,-8.22,;4.86,-6.89,;6.38,-6.89,;7.17,-5.57,;8.7,-5.57,;9.47,-6.92,;8.7,-8.24,;7.15,-8.24,;6.38,-9.57,;11,-6.92,;11.77,-8.24,;13.31,-8.24,;14.08,-6.92,;13.31,-5.59,;11.78,-5.57,;15.62,-6.92,;16.1,-8.38,;17.64,-8.38,;18.11,-6.92,;19.5,-6.29,;19.67,-4.75,;18.41,-3.85,;17.01,-4.47,;16.87,-6.01,;18.56,-2.31,;18.71,-.78,)| Show InChI InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,27H,3-4,6-7,10-11,16H2,1H3/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.				Bioorg Med Chem Lett 11: 1885-8 (2001) BindingDB Entry DOI: 10.7270/Q2GM86K9
					More data for this Ligand-Target Pair