Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM180755'   

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 2A (Homo sapiens (Human))	BDBM180755 (US8829029, 50) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccnc2)CC1 |r,wU:19.24,wD:16.17,(-7.34,-6.06,;-7.34,-4.52,;-6,-3.75,;-6,-2.21,;-7.34,-1.44,;-7.34,.1,;-8.67,.87,;-10,-1.44,;-8.67,-2.21,;-8.67,-3.75,;-6,.87,;-4.67,.1,;-3.33,.87,;-3.33,2.41,;-2,3.18,;-.67,2.41,;.67,3.18,;2,2.41,;3.33,3.18,;3.33,4.72,;2,5.49,;.67,4.72,;4.67,5.49,;6,4.72,;6.77,6.06,;5.23,3.39,;7.34,3.95,;7.34,2.41,;8.67,1.64,;10,2.41,;10,3.95,;8.67,4.72,;-4.67,3.18,;-6,2.41,)| Show InChI InChI=1S/C25H31FN4O3S/c26-20-5-8-23-24(16-20)33-28-25(23)19-10-14-30(15-11-19)13-9-18-3-6-21(7-4-18)29-34(31,32)22-2-1-12-27-17-22/h1-2,5,8,12,16-19,21,29H,3-4,6-7,9-11,13-15H2/t18-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair