Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM476796'   

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))	BDBM476796 (US10870660, Compound III-244 | US11345716, Compoun...) Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OC4CC(F)(F)C4)sc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.85,-1.57,;12.08,-.23,;10.54,-.07,;10.22,1.44,;8.89,2.21,;8.89,3.75,;10.22,4.52,;11.56,3.75,;11.56,2.21,;12.7,1.18,;7.56,1.44,;7.56,-.1,;6.22,2.21,;4.89,1.44,;3.56,2.21,;2.22,1.44,;2.22,-.1,;.89,-.87,;-.45,-.1,;-1.78,-.87,;-3.05,-.01,;-4.52,-.46,;-5.09,-1.89,;-6.59,-2.21,;-6.75,-3.75,;-8.09,-4.52,;-9.42,-3.75,;-9.82,-2.26,;-11.31,-2.66,;-12.85,-2.66,;-12.4,-1.57,;-10.91,-4.14,;-5.35,-4.37,;-4.32,-3.23,;-2.79,-3.46,;-1.66,-2.41,;3.56,-.87,;4.89,-.1,)| Show InChI InChI=1S/C28H35F2N5O2S/c1-34-17-22-21(3-2-4-23(22)33-34)26(36)31-19-7-5-18(6-8-19)9-12-35-13-10-24-25(11-14-35)38-27(32-24)37-20-15-28(29,30)16-20/h2-4,17-20H,5-16H2,1H3,(H,31,36)/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	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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