Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM476852'   

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))	BDBM476852 (US10870660, Compound III-696 | US11345716, Compoun...) Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)o1 |r,wU:12.12,wD:9.8,(13.15,1.15,;11.61,1.15,;10.71,-.09,;9.24,.38,;9.24,1.93,;7.91,2.69,;6.58,1.93,;6.58,.38,;5.24,2.69,;3.91,1.93,;2.59,2.69,;1.26,1.93,;1.26,.38,;-.08,-.38,;-1.41,.38,;-2.74,-.38,;-2.73,-1.93,;-4.06,-2.69,;-5.39,-1.93,;-6.86,-2.4,;-7.76,-1.15,;-9.3,-1.15,;-10.07,.18,;-11.61,.18,;-12.38,1.51,;-12.38,-1.15,;-13.15,.18,;-6.86,.09,;-5.39,-.38,;-4.06,.38,;2.59,-.38,;3.93,.38,;10.71,2.4,)| Show InChI InChI=1S/C23H31F3N4O2S/c1-15-27-13-18(32-15)12-21(31)28-17-4-2-16(3-5-17)7-10-30-11-8-20-19(14-30)29-22(33-20)6-9-23(24,25)26/h13,16-17H,2-12,14H2,1H3,(H,28,31)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	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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