null

SMILES: Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1

InChI Key: InChIKey=YNYDYHAGYPXNNN-SAABIXHNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 476761   

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))	BDBM476761 (US10870660, Compound III-037 | US11345716, Compoun...) Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1 |r,wU:11.11,wD:8.7,(13.14,2.84,;11.6,2.84,;10.57,3.99,;9.17,3.36,;7.83,4.13,;6.5,3.36,;6.5,1.82,;5.17,4.13,;3.83,3.36,;2.5,4.13,;1.17,3.36,;1.17,1.82,;-.17,1.05,;-1.5,1.82,;-2.84,1.05,;-4.11,1.92,;-5.58,1.46,;-6.14,.03,;-7.65,-.29,;-7.81,-1.82,;-9.14,-2.59,;-10.48,-1.82,;-11.81,-2.59,;-13.14,-1.82,;-11.81,-4.13,;-13.14,-3.36,;-6.4,-2.45,;-5.37,-1.3,;-3.85,-1.53,;-2.72,-.48,;2.5,1.05,;3.83,1.82,;9.33,1.83,;10.83,1.51,)| Show InChI InChI=1S/C23H32F3N5O2S/c1-30-14-17(13-27-30)12-21(32)28-18-4-2-16(3-5-18)6-9-31-10-7-19-20(8-11-31)34-22(29-19)33-15-23(24,25)26/h13-14,16,18H,2-12,15H2,1H3,(H,28,32)/t16-,18-	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(3) dopamine receptor (Homo sapiens (Human))	BDBM476761 (US10870660, Compound III-037 | US11345716, Compoun...) Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1 |r,wU:11.11,wD:8.7,(13.14,2.84,;11.6,2.84,;10.57,3.99,;9.17,3.36,;7.83,4.13,;6.5,3.36,;6.5,1.82,;5.17,4.13,;3.83,3.36,;2.5,4.13,;1.17,3.36,;1.17,1.82,;-.17,1.05,;-1.5,1.82,;-2.84,1.05,;-4.11,1.92,;-5.58,1.46,;-6.14,.03,;-7.65,-.29,;-7.81,-1.82,;-9.14,-2.59,;-10.48,-1.82,;-11.81,-2.59,;-13.14,-1.82,;-11.81,-4.13,;-13.14,-3.36,;-6.4,-2.45,;-5.37,-1.3,;-3.85,-1.53,;-2.72,-.48,;2.5,1.05,;3.83,1.82,;9.33,1.83,;10.83,1.51,)| Show InChI InChI=1S/C23H32F3N5O2S/c1-30-14-17(13-27-30)12-21(32)28-18-4-2-16(3-5-18)6-9-31-10-7-19-20(8-11-31)34-22(29-19)33-15-23(24,25)26/h13-14,16,18H,2-12,15H2,1H3,(H,28,32)/t16-,18-	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PQ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM476761 (US10870660, Compound III-037 | US11345716, Compoun...) Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1 |r,wU:11.11,wD:8.7,(13.14,2.84,;11.6,2.84,;10.57,3.99,;9.17,3.36,;7.83,4.13,;6.5,3.36,;6.5,1.82,;5.17,4.13,;3.83,3.36,;2.5,4.13,;1.17,3.36,;1.17,1.82,;-.17,1.05,;-1.5,1.82,;-2.84,1.05,;-4.11,1.92,;-5.58,1.46,;-6.14,.03,;-7.65,-.29,;-7.81,-1.82,;-9.14,-2.59,;-10.48,-1.82,;-11.81,-2.59,;-13.14,-1.82,;-11.81,-4.13,;-13.14,-3.36,;-6.4,-2.45,;-5.37,-1.3,;-3.85,-1.53,;-2.72,-.48,;2.5,1.05,;3.83,1.82,;9.33,1.83,;10.83,1.51,)| Show InChI InChI=1S/C23H32F3N5O2S/c1-30-14-17(13-27-30)12-21(32)28-18-4-2-16(3-5-18)6-9-31-10-7-19-20(8-11-31)34-22(29-19)33-15-23(24,25)26/h13-14,16,18H,2-12,15H2,1H3,(H,28,32)/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PQ8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM476761 (US10870660, Compound III-037 | US11345716, Compoun...) Show SMILES Cn1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1 |r,wU:11.11,wD:8.7,(13.14,2.84,;11.6,2.84,;10.57,3.99,;9.17,3.36,;7.83,4.13,;6.5,3.36,;6.5,1.82,;5.17,4.13,;3.83,3.36,;2.5,4.13,;1.17,3.36,;1.17,1.82,;-.17,1.05,;-1.5,1.82,;-2.84,1.05,;-4.11,1.92,;-5.58,1.46,;-6.14,.03,;-7.65,-.29,;-7.81,-1.82,;-9.14,-2.59,;-10.48,-1.82,;-11.81,-2.59,;-13.14,-1.82,;-11.81,-4.13,;-13.14,-3.36,;-6.4,-2.45,;-5.37,-1.3,;-3.85,-1.53,;-2.72,-.48,;2.5,1.05,;3.83,1.82,;9.33,1.83,;10.83,1.51,)| Show InChI InChI=1S/C23H32F3N5O2S/c1-30-14-17(13-27-30)12-21(32)28-18-4-2-16(3-5-18)6-9-31-10-7-19-20(8-11-31)34-22(29-19)33-15-23(24,25)26/h13-14,16,18H,2-12,15H2,1H3,(H,28,32)/t16-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	530	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