Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082877'   

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))	BDBM50082877 (1-[(R)-5-(4-Cyano-4-phenyl-piperidin-1-yl)-4-methy...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C32H38F2N4O2/c1-22(20-37-17-14-32(21-35,15-18-37)26-10-6-5-7-11-26)9-8-16-38-24(3)36-23(2)29(31(39)40-4)30(38)25-12-13-27(33)28(34)19-25/h5-7,10-13,19,22,30H,8-9,14-18,20H2,1-4H3/t22-,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.				J Med Chem 42: 4804-13 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4K5R
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