Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 5A' and Ligand = 'BDBM135785'   

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 5A (Homo sapiens (Human))	BDBM135785 (US8853242, 152) Show SMILES Cc1cnc(-c2c(F)cc(F)cc2F)c2cc(ccc12)C(=O)N=C(N)N |(-.38,-4.67,;-1.15,-3.33,;-2.69,-3.33,;-3.46,-2,;-2.69,-.67,;-3.47,.67,;-5,.67,;-5.78,-.67,;-5.78,2,;-5,3.33,;-5.78,4.67,;-3.47,3.33,;-2.69,2,;-1.15,2,;-1.15,-.67,;-.38,.67,;1.15,.67,;1.93,-.67,;1.15,-2,;-.38,-2,;1.93,2,;1.15,3.33,;3.47,2,;4.23,3.33,;5.78,3.33,;3.47,4.67,)| Show InChI InChI=1S/C18H13F3N4O/c1-8-7-24-16(15-13(20)5-10(19)6-14(15)21)12-4-9(2-3-11(8)12)17(26)25-18(22)23/h2-7H,1H3,(H4,22,23,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.30	-50.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Astellas Pharma Inc. US Patent					Assay Description A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...				US Patent US8853242 (2014) BindingDB Entry DOI: 10.7270/Q2NP2346
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