Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50090040'   

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))	BDBM50090040 (4-(3,4-Difluoro-phenyl)-2-oxo-6-trifluoromethyl-1,...) Show SMILES Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F |c:13| Show InChI InChI=1S/C25H26F5N5O2/c26-17-6-5-16(14-18(17)27)21-20(22(25(28,29)30)34-24(37)33-21)23(36)32-10-3-11-35-12-7-15(8-13-35)19-4-1-2-9-31-19/h1-2,4-6,9,14-15,20-21H,3,7-8,10-13H2,(H,32,36)(H,33,37)/t20?,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.				J Med Chem 43: 2703-18 (2000) BindingDB Entry DOI: 10.7270/Q2XK8DTM
					More data for this Ligand-Target Pair