Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM106466'   

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))	BDBM106466 (US8586579, 55) Show SMILES C[C@@]1(O)CC[C@@H](CC1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1 |r,wU:11.11,1.0,wD:14.15,5.8,1.1,(11.45,1.29,;10.11,.52,;11.45,-.25,;9.34,-.82,;7.8,-.82,;7.03,.52,;7.8,1.85,;9.34,1.85,;5.49,.52,;4.72,-.82,;4.72,1.85,;3.18,1.85,;2.41,.52,;.87,.52,;.1,1.85,;-1.44,1.85,;-2.21,.52,;-3.75,.52,;-4.52,-.82,;-6.06,-.82,;-6.83,.52,;-6.06,1.85,;-4.52,1.85,;-8.37,.52,;-9.14,1.85,;-10.68,1.85,;-11.45,.52,;-10.68,-.82,;-11.15,-2.28,;-9.91,-3.19,;-8.66,-2.28,;-9.14,-.82,;.87,3.19,;2.41,3.19,)| Show InChI InChI=1S/C27H42N4O3/c1-27(33)11-6-21(7-12-27)26(32)29-22-4-2-20(3-5-22)9-14-30-15-17-31(18-16-30)25-23-10-19-34-24(23)8-13-28-25/h8,13,20-22,33H,2-7,9-12,14-19H2,1H3,(H,29,32)/t20-,21-,22-,27+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...				US Patent US8586579 (2013) BindingDB Entry DOI: 10.7270/Q2QV3K55
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