null

SMILES: Cn1cc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1

InChI Key: InChIKey=CHOIZZRTZYWAEG-QAQDUYKDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 476849   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM476849 (US10870660, Compound III-666 | US11345716, Compoun...) Show SMILES Cn1cc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1 |r,wU:17.19,wD:14.15,(12.11,-2.23,;11.34,-.9,;9.81,-.74,;9.49,.77,;8.15,1.54,;8.15,3.08,;9.49,3.85,;10.82,3.08,;12.16,3.85,;10.82,1.54,;11.97,.51,;6.82,.77,;6.82,-.77,;5.49,1.54,;4.15,.77,;2.82,1.54,;1.49,.77,;1.49,-.77,;.15,-1.54,;-1.18,-.77,;-2.51,-1.54,;-2.5,-3.08,;-3.83,-3.85,;-5.17,-3.08,;-6.63,-3.56,;-7.54,-2.31,;-9.08,-2.31,;-9.85,-.98,;-11.39,-.98,;-10.62,.36,;-12.16,.36,;-12.16,-2.31,;-6.63,-1.06,;-5.17,-1.54,;-3.83,-.77,;2.82,-1.54,;4.15,-.77,)| Show InChI InChI=1S/C26H32F3N5O2S/c1-26(28,29)15-36-25-31-21-14-34(12-10-22(21)37-25)11-9-16-3-5-17(6-4-16)30-24(35)18-7-8-20(27)23-19(18)13-33(2)32-23/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,30,35)/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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM476849 (US10870660, Compound III-666 | US11345716, Compoun...) Show SMILES Cn1cc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1 |r,wU:17.19,wD:14.15,(12.11,-2.23,;11.34,-.9,;9.81,-.74,;9.49,.77,;8.15,1.54,;8.15,3.08,;9.49,3.85,;10.82,3.08,;12.16,3.85,;10.82,1.54,;11.97,.51,;6.82,.77,;6.82,-.77,;5.49,1.54,;4.15,.77,;2.82,1.54,;1.49,.77,;1.49,-.77,;.15,-1.54,;-1.18,-.77,;-2.51,-1.54,;-2.5,-3.08,;-3.83,-3.85,;-5.17,-3.08,;-6.63,-3.56,;-7.54,-2.31,;-9.08,-2.31,;-9.85,-.98,;-11.39,-.98,;-10.62,.36,;-12.16,.36,;-12.16,-2.31,;-6.63,-1.06,;-5.17,-1.54,;-3.83,-.77,;2.82,-1.54,;4.15,-.77,)| Show InChI InChI=1S/C26H32F3N5O2S/c1-26(28,29)15-36-25-31-21-14-34(12-10-22(21)37-25)11-9-16-3-5-17(6-4-16)30-24(35)18-7-8-20(27)23-19(18)13-33(2)32-23/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,30,35)/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	210	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
					More data for this Ligand-Target Pair