Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM180712'   

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))	BDBM180712 (US8829029, 12) Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccnc(c2)N2CCOCC2)CC1 |r,wU:19.24,wD:16.17,(-6.53,-7.48,;-6.93,-5.99,;-5.84,-4.9,;-6.24,-3.41,;-7.73,-3.01,;-8.13,-1.53,;-9.62,-1.13,;-10.31,-3.7,;-8.82,-4.1,;-8.42,-5.59,;-7.04,-.44,;-5.55,-.84,;-4.46,.25,;-4.86,1.74,;-3.77,2.83,;-2.28,2.43,;-1.2,3.52,;.29,3.12,;1.38,4.21,;.98,5.7,;-.51,6.1,;-1.59,5.01,;2.07,6.79,;3.56,6.39,;4.65,7.48,;3.96,4.9,;2.87,3.81,;3.27,2.32,;4.75,1.93,;5.84,3.01,;5.44,4.5,;7.33,2.62,;7.73,1.13,;9.22,.73,;10.31,1.82,;9.91,3.31,;8.42,3.7,;-6.35,2.14,;-7.44,1.05,)| Show InChI InChI=1S/C30H38FN5O3/c31-24-3-6-26-27(20-24)39-34-29(26)22-9-13-35(14-10-22)12-8-21-1-4-25(5-2-21)33-30(37)23-7-11-32-28(19-23)36-15-17-38-18-16-36/h3,6-7,11,19-22,25H,1-2,4-5,8-10,12-18H2,(H,33,37)/t21-,25-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.46	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