Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50130438'   

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 1B (Homo sapiens (Human))	BDBM50130438 (1-(4-Fluoro-phenyl)-3-[3-(1-methyl-piperidin-4-yl)...) Show SMILES CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)Nc3ccc(F)cc3)nc12 Show InChI InChI=1S/C20H22FN5O/c1-26-10-8-13(9-11-26)16-12-22-17-6-7-18(24-19(16)17)25-20(27)23-15-4-2-14(21)3-5-15/h2-7,12-13,22H,8-11H2,1H3,(H2,23,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1B recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
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