Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50199558'   

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))	BDBM50199558 (6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dih...) Show SMILES CN1CCN(CC1)c1cc(F)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H28FN5O3/c1-29-6-8-31(9-7-29)22-15-17(26)14-20-23(32)16-21(28-24(20)22)25(33)27-18-2-4-19(5-3-18)30-10-12-34-13-11-30/h2-5,14-16H,6-13H2,1H3,(H,27,33)(H,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Displacement of [3H]GR125743 from 5HT1B receptor transfected in CHO cells				Bioorg Med Chem 15: 939-50 (2006) Article DOI: 10.1016/j.bmc.2006.10.037 BindingDB Entry DOI: 10.7270/Q2445M3X
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