Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50195281'   

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 adrenergic receptor (Homo sapiens (Human))	BDBM50195281 (CHEMBL3967696) Show SMILES C(Oc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1)c1ccccc1 Show InChI InChI=1S/C27H24N2O3/c1-2-4-17(5-3-1)15-30-19-6-7-23-21(11-19)22-12-25-20-13-27-26(31-16-32-27)10-18(20)8-9-29(25)14-24(22)28-23/h1-7,10-11,13,25,28H,8-9,12,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Antagonist activity at human full-length N-terminal SNAP-tagged alpha1A adrenoceptor expressed in HEK293 cells assessed as inhibition of agonist-indu...				J Med Chem 59: 9489-9502 (2016) Article DOI: 10.1021/acs.jmedchem.6b01217 BindingDB Entry DOI: 10.7270/Q2TB18VD
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