Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50017447'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50017447 (3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...) Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1 Show InChI InChI=1S/C23H30F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-5,15-17,20-21H,1-2,6-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 12 to 20.				J Med Chem 32: 1024-33 (1989) BindingDB Entry DOI: 10.7270/Q21G0MVD
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