Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50473512'   

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))	BDBM50473512 (CHEMBL2368254) Show SMILES N[C@H]1C[C@@H](C1)c1c[nH]c2ccc(Oc3ccccc3)cc12 |wU:1.0,wD:3.5,(12.4,-12.84,;11.92,-11.37,;10.55,-10.69,;11.23,-9.32,;12.61,-9.99,;10.76,-7.85,;11.65,-6.6,;10.74,-5.35,;9.27,-5.84,;7.94,-5.07,;6.61,-5.86,;6.61,-7.4,;5.27,-8.17,;5.27,-9.71,;6.6,-10.46,;6.61,-12,;5.27,-12.79,;3.93,-12,;3.94,-10.46,;7.94,-8.17,;9.29,-7.38,)| Show InChI InChI=1S/C18H18N2O/c19-13-8-12(9-13)17-11-20-18-7-6-15(10-16(17)18)21-14-4-2-1-3-5-14/h1-7,10-13,20H,8-9,19H2/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	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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