Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50173094'   

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))	BDBM50173094 (4-(4-Methylsulfanyl-phenyl)-piperazine-1-carboxyli...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C24H33N5O2S/c1-26-10-12-28(13-11-26)22-18-19(4-9-23(22)31-2)25-24(30)29-16-14-27(15-17-29)20-5-7-21(32-3)8-6-20/h4-9,18H,10-17H2,1-3H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human 5-HT1B receptor using [3H]5-carboximidotryptamine as radioligand				Bioorg Med Chem Lett 15: 4786-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.024 BindingDB Entry DOI: 10.7270/Q2NP23ZZ
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