Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor' and Ligand = 'BDBM50419672'   

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))	BDBM50419672 (CHEMBL1944694) Show SMILES COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1 |r| Show InChI InChI=1S/C27H31N3O4S/c1-34-24-5-3-2-4-20(24)13-15-28-16-19-8-6-18(7-9-19)12-14-29-17-23(32)21-10-11-22(31)25-26(21)35-27(33)30-25/h2-11,23,28-29,31-32H,12-17H2,1H3,(H,30,33)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	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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