Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM107516'   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM107516 (US8598357, 19) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)on1 |r,wU:8.7,wD:11.11,(11.3,-3.05,;9.97,-2.28,;9.49,-.82,;7.95,-.82,;7.18,.52,;5.64,.52,;4.87,-.82,;4.87,1.85,;3.33,1.85,;2.56,.52,;1.02,.52,;.25,1.85,;-1.29,1.85,;-2.06,.52,;-3.6,.52,;-4.37,-.82,;-5.91,-.82,;-6.68,.52,;-5.91,1.85,;-4.37,1.85,;-8.22,.52,;-8.99,1.85,;-10.53,1.85,;-11.3,.52,;-10.53,-.82,;-11.01,-2.28,;-9.76,-3.19,;-8.51,-2.28,;-8.99,-.82,;1.02,3.19,;2.56,3.19,;7.47,-2.28,;8.72,-3.19,)| Show InChI InChI=1S/C26H35N3O4/c1-18-15-22(33-28-18)16-25(30)27-21-7-5-19(6-8-21)9-12-29-13-10-20(11-14-29)23-3-2-4-24-26(23)32-17-31-24/h2-4,15,19-21H,5-14,16-17H2,1H3,(H,27,30)/t19-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.19	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 US8598357 (2013) BindingDB Entry DOI: 10.7270/Q27P8X2S
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