Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50419676'   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419676 (CHEMBL1945034) Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccn2)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H28N4O3S/c30-21-9-8-20(24-23(21)29-25(32)33-24)22(31)16-27-13-10-17-4-6-18(7-5-17)15-26-14-11-19-3-1-2-12-28-19/h1-9,12,22,26-27,30-31H,10-11,13-16H2,(H,29,32)/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay				Bioorg Med Chem Lett 22: 689-95 (2011) Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90
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