Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50139520'   

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))	BDBM50139520 (4-Chloro-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indo...) Show SMILES Clc1ccc(cc1)C(=S)NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1 |c:14| Show InChI InChI=1S/C26H29ClN4S/c27-23-6-3-20(4-7-23)26(32)29-31-15-10-19(11-16-31)21-5-8-25-24(17-21)22(18-28-25)9-14-30-12-1-2-13-30/h3-8,10,17-18,28H,1-2,9,11-16H2,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NPS Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 727-9 (2004) BindingDB Entry DOI: 10.7270/Q2M32V5K
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