Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM476757'   

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))	BDBM476757 (US10870660, Compound III-019 | US11345716, Compoun...) Show SMILES Cc1nc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1 |r,wU:11.11,wD:8.7,(13.39,2.1,;11.85,2.1,;10.82,3.24,;9.41,2.61,;8.08,3.38,;6.75,2.61,;6.75,1.07,;5.41,3.38,;4.08,2.61,;2.74,3.38,;1.41,2.61,;1.41,1.07,;.08,.3,;-1.26,1.07,;-2.59,.3,;-2.48,-1.23,;-3.6,-2.28,;-5.13,-2.05,;-5.9,-3.38,;-7.44,-3.38,;-8.21,-2.05,;-9.75,-2.05,;-10.52,-.72,;-12.06,-.72,;-12.83,.62,;-12.06,-2.26,;-13.39,-1.49,;-7.44,-.72,;-5.9,-.72,;-5.33,.72,;-3.86,1.17,;2.74,.3,;4.08,1.07,;9.57,1.08,;11.08,.76,)| Show InChI InChI=1S/C25H35F2N5O3/c1-17-28-22(31-35-17)15-23(33)29-20-6-3-18(4-7-20)9-12-32-13-10-19-5-8-24(30-21(19)11-14-32)34-16-25(2,26)27/h5,8,18,20H,3-4,6-7,9-16H2,1-2H3,(H,29,33)/t18-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	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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