Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50082874'   

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))	BDBM50082874 (1-{5-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-penty...) Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7| Show InChI InChI=1S/C30H37F2N5O3/c1-20-27(30(39)40-3)28(22-11-12-24(31)25(32)19-22)37(21(2)34-20)14-8-4-7-13-35-15-17-36(18-16-35)26-10-6-5-9-23(26)29(33)38/h5-6,9-12,19,28H,4,7-8,13-18H2,1-3H3,(H2,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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
					More data for this Ligand-Target Pair