Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50419663'   

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))	BDBM50419663 (CHEMBL1945297) Show SMILES CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(31-15-24(34)20-8-9-23(33)25-26(20)36-27(35)32-25)12-17-4-2-5-18(13-17)14-30-11-10-19-21(28)6-3-7-22(19)29/h2-9,13,16,24,30-31,33-34H,10-12,14-15H2,1H3,(H,32,35)/t16?,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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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