Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50070408'   

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))	BDBM50070408 (2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12 Show InChI InChI=1S/C38H46N6O4/c1-39-13-17-41(18-14-39)35-7-3-5-29-9-11-31(25-33(29)35)47-27-37(45)43-21-23-44(24-22-43)38(46)28-48-32-12-10-30-6-4-8-36(34(30)26-32)42-19-15-40(2)16-20-42/h3-12,25-26H,13-24,27-28H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at human recombinant 5-hydroxytryptamine 1D receptor using [3H]-5-CT as radioligand				Bioorg Med Chem Lett 8: 1407-12 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZJS
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