Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM180752'   

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))	BDBM180752 (US8829029, 47) Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:6.5,wD:9.9,(8.67,2.41,;8.67,3.95,;7.34,4.72,;8.11,6.06,;6.57,3.39,;6,5.49,;4.67,4.72,;4.67,3.18,;3.33,2.41,;2,3.18,;.67,2.41,;-.67,3.18,;-2,2.41,;-2,.87,;-3.33,.1,;-4.67,.87,;-4.67,2.41,;-3.33,3.18,;-6,.1,;-7.34,.87,;-8.67,-1.44,;-7.34,-2.21,;-7.34,-3.75,;-6,-4.52,;-6,-6.06,;-4.67,-3.75,;-4.67,-2.21,;-6,-1.44,;2,4.72,;3.33,5.49,)| Show InChI InChI=1S/C22H32FN3O3S/c1-2-30(27,28)25-19-6-3-16(4-7-19)9-12-26-13-10-17(11-14-26)22-20-8-5-18(23)15-21(20)29-24-22/h5,8,15-17,19,25H,2-4,6-7,9-14H2,1H3/t16-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.66	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
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