Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM476886'   

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))	BDBM476886 (US10870660, Compound I-073 | US11345716, Compound ...) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3sc(nc3C2)N2CC3CC3C2)CC1)c1cccc2ncccc12 |r,wU:6.6,wD:3.2,(7.14,-.77,;7.14,.77,;5.81,1.54,;4.47,.77,;3.14,1.54,;1.81,.77,;1.81,-.77,;.47,-1.54,;-.86,-.77,;-2.19,-1.54,;-2.19,-3.08,;-3.53,-3.85,;-4.86,-3.08,;-6.33,-3.56,;-7.23,-2.31,;-6.33,-1.06,;-4.86,-1.54,;-3.53,-.77,;-8.77,-2.31,;-9.68,-1.06,;-11.14,-1.54,;-12.48,-2.31,;-11.14,-3.08,;-9.68,-3.56,;3.14,-1.54,;4.47,-.77,;8.47,1.54,;8.47,3.08,;9.81,3.85,;11.14,3.08,;11.14,1.54,;12.48,.77,;12.48,-.77,;11.14,-1.54,;9.81,-.77,;9.81,.77,)| Show InChI InChI=1S/C29H35N5OS/c35-28(24-3-1-5-25-23(24)4-2-12-30-25)31-22-8-6-19(7-9-22)10-13-33-14-11-27-26(18-33)32-29(36-27)34-16-20-15-21(20)17-34/h1-5,12,19-22H,6-11,13-18H2,(H,31,35)/t19-,20?,21?,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0800	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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