Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM476763'   

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))	BDBM476763 (US10870660, Compound III-063 | US11345716, Compoun...) Show SMILES CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2s1)C(F)(F)F |r,wU:11.10,wD:14.17,(-9.8,-1.44,;-9.8,-2.98,;-8.47,-3.75,;-7.13,-2.98,;-6.97,-1.44,;-5.46,-1.12,;-4.9,.31,;-3.43,.76,;-2.16,-.1,;-.82,.67,;.51,-.1,;1.84,.67,;1.84,2.21,;3.18,2.98,;4.51,2.21,;4.51,.67,;3.18,-.1,;5.84,2.98,;7.18,2.21,;7.18,.67,;8.51,2.98,;8.51,4.52,;9.84,5.29,;11.18,4.52,;11.18,2.98,;12.32,1.95,;11.7,.54,;12.47,-.8,;10.17,.7,;9.84,2.21,;-2.04,-1.64,;-3.17,-2.69,;-4.69,-2.46,;-5.73,-3.6,;-11.13,-3.75,;-12.47,-2.98,;-11.13,-5.29,;-12.47,-4.52,)| Show InChI InChI=1S/C27H34F3N5O2S/c1-17(27(28,29)30)37-26-32-23-11-14-35(15-12-24(23)38-26)13-10-18-6-8-19(9-7-18)31-25(36)20-4-3-5-22-21(20)16-34(2)33-22/h3-5,16-19H,6-15H2,1-2H3,(H,31,36)/t17?,18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020) BindingDB Entry DOI: 10.7270/Q2M61PBD
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