Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM476882'   

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))	BDBM476882 (US10870660, Compound I-071 | US11345716, Compound ...) Show SMILES CC(F)(F)COc1nc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ncccc34)CCc2s1 |r,wU:13.12,wD:16.19,(-11.88,.36,;-11.11,-.98,;-11.11,-2.52,;-12.45,-1.75,;-9.57,-.98,;-8.8,-2.31,;-7.26,-2.31,;-6.36,-1.06,;-4.89,-1.54,;-3.56,-.77,;-2.22,-1.54,;-.89,-.77,;.44,-1.54,;1.78,-.77,;1.78,.77,;3.11,1.54,;4.44,.77,;4.44,-.77,;3.11,-1.54,;5.78,1.54,;7.11,.77,;7.11,-.77,;8.44,1.54,;8.44,3.08,;9.78,3.85,;11.11,3.08,;11.11,1.54,;12.45,.77,;12.45,-.77,;11.11,-1.54,;9.78,-.77,;9.78,.77,;-2.22,-3.08,;-3.56,-3.85,;-4.89,-3.08,;-6.36,-3.56,)| Show InChI InChI=1S/C27H32F2N4O2S/c1-27(28,29)17-35-26-32-23-16-33(15-12-24(23)36-26)14-11-18-7-9-19(10-8-18)31-25(34)21-4-2-6-22-20(21)5-3-13-30-22/h2-6,13,18-19H,7-12,14-17H2,1H3,(H,31,34)/t18-,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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