Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50419714'   

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))	BDBM50419714 (CHEMBL1946787) Show SMILES COc1ccccc1N1CCN(C[C@H]2CCC([C@H]2O)(c2ccccc2)c2ccccc2)CC1 |r| Show InChI InChI=1S/C29H34N2O2/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,23,28,32H,16-22H2,1H3/t23-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
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