Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM263432'   

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))	BDBM263432 (US9550741, III-14) Show SMILES COC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,8.8,(-10.27,2.93,;-8.93,3.7,;-7.6,2.93,;-7.6,1.39,;-6.26,3.7,;-4.93,2.93,;-4.93,1.39,;-3.6,.62,;-2.26,1.39,;-.93,.62,;.4,1.39,;1.74,.62,;1.74,-.92,;3.07,-1.69,;4.4,-.92,;4.4,.62,;3.07,1.39,;5.74,-1.69,;5.74,-3.23,;7.2,-3.7,;8.11,-2.46,;9.64,-2.3,;10.27,-.89,;9.36,.36,;7.83,.2,;7.2,-1.21,;-2.26,2.93,;-3.6,3.7,)| Show InChI InChI=1S/C21H30N4O2S/c1-27-21(26)22-17-8-6-16(7-9-17)10-11-24-12-14-25(15-13-24)20-18-4-2-3-5-19(18)28-23-20/h2-5,16-17H,6-15H2,1H3,(H,22,26)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.23	n/a	n/a	n/a	n/a	n/a	n/a	7.7	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description 1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
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