Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM180714'   

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))	BDBM180714 (US8829029, 14) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccc(cc2)N2CCCCC2)CC1 |r,wU:19.24,wD:16.17,(-4.9,-7.48,;-5.3,-5.99,;-4.21,-4.9,;-4.61,-3.41,;-6.1,-3.01,;-6.49,-1.53,;-7.98,-1.13,;-8.67,-3.7,;-7.18,-4.1,;-6.79,-5.59,;-5.41,-.44,;-3.92,-.84,;-2.83,.25,;-3.23,1.74,;-2.14,2.83,;-.65,2.43,;.44,3.52,;1.93,3.12,;3.01,4.21,;2.62,5.7,;1.13,6.1,;.04,5.01,;3.7,6.79,;5.19,6.39,;6.28,7.48,;5.59,4.9,;4.5,3.81,;4.9,2.32,;6.39,1.93,;7.48,3.01,;7.08,4.5,;6.79,.44,;5.7,-.65,;6.1,-2.14,;7.58,-2.54,;8.67,-1.45,;8.27,.04,;-4.72,2.14,;-5.8,1.05,)| Show InChI InChI=1S/C32H41FN4O2/c33-26-8-13-29-30(22-26)39-35-31(29)24-15-20-36(21-16-24)19-14-23-4-9-27(10-5-23)34-32(38)25-6-11-28(12-7-25)37-17-2-1-3-18-37/h6-8,11-13,22-24,27H,1-5,9-10,14-21H2,(H,34,38)/t23-,27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.60	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