Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50175472'   

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))	BDBM50175472 (3-(2-{4-[2-(2,2-dimethyl-propoxy)-phenyl]-piperazi...) Show SMILES CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3OCC(C)(C)C)c(=O)c21 Show InChI InChI=1S/C27H37N5O2S/c1-27(2,3)18-34-22-8-6-5-7-21(22)31-14-11-30(12-15-31)13-16-32-19-28-25-24(26(32)33)20-9-10-29(4)17-23(20)35-25/h5-8,19H,9-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant 5HT1B receptor co-expressed with G-protein chimera Gqo5 in HEK293 cells by FLIPR				Bioorg Med Chem Lett 15: 5567-73 (2005) Article DOI: 10.1016/j.bmcl.2005.04.077 BindingDB Entry DOI: 10.7270/Q2CR5SX4
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