Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50408702'   

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))	BDBM50408702 (CHEMBL21790) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C Show InChI InChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for human 5-hydroxytryptamine 1B receptor				J Med Chem 41: 1218-35 (1998) Article DOI: 10.1021/jm970457s BindingDB Entry DOI: 10.7270/Q2XS5WMN
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