Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50074165'   

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 1D (Homo sapiens (Human))	BDBM50074165 (3-[2-((S)-2-Benzyloxymethyl-pyrrolidin-1-yl)-ethyl...) Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CCC[C@H]1COCc1ccccc1 Show InChI InChI=1S/C24H27N5O/c1-2-5-19(6-3-1)15-30-16-22-7-4-11-28(22)12-10-20-14-25-24-9-8-21(13-23(20)24)29-17-26-27-18-29/h1-3,5-6,8-9,13-14,17-18,22,25H,4,7,10-12,15-16H2/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-5-HT binding from the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells				J Med Chem 42: 677-90 (1999) Article DOI: 10.1021/jm9805687 BindingDB Entry DOI: 10.7270/Q23777W5
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