Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50473516'   

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))	BDBM50473516 (CHEMBL2110299) Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:1.0,wD:3.5,(17.46,-8.49,;16.99,-7.03,;15.61,-6.33,;16.29,-4.97,;17.67,-5.65,;15.82,-3.51,;16.71,-2.25,;15.8,-1.01,;14.33,-1.5,;13,-.73,;11.67,-1.5,;11.67,-3.04,;10.34,-3.81,;10.34,-5.35,;9.1,-6.26,;9.57,-7.71,;11.11,-7.73,;12.2,-8.82,;11.58,-6.26,;13,-3.81,;14.35,-3.04,)| Show InChI InChI=1S/C16H19N3O2/c17-11-5-10(6-11)14-7-18-15-2-1-9(4-13(14)15)3-12-8-21-16(20)19-12/h1-2,4,7,10-12,18H,3,5-6,8,17H2,(H,19,20)/t10-,11-,12?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Curated by ChEMBL					Assay Description Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D receptor				J Med Chem 44: 681-93 (2001) Article DOI: 10.1021/jm000956k BindingDB Entry DOI: 10.7270/Q2PC354M
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