BDBM476834 US10870660, Compound III-578

SMILES: COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1

InChI Key: InChIKey=OJUNMSDCPOWMOQ-WKILWMFISA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 476834   

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))	BDBM476834 (US10870660, Compound III-578) Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1 |r,wU:12.12,wD:9.8,(13.39,2.49,;12.62,1.15,;11.08,1.15,;10.17,2.4,;8.71,1.93,;7.37,2.69,;6.04,1.93,;6.04,.38,;4.7,2.69,;3.37,1.93,;2.04,2.69,;.7,1.93,;.7,.38,;-.63,-.38,;-1.96,.38,;-3.3,-.38,;-3.3,-1.93,;-4.63,-2.69,;-5.96,-1.93,;-7.43,-2.4,;-8.33,-1.15,;-7.43,.09,;-5.96,-.38,;-4.63,.38,;-9.87,-1.15,;-10.96,-.07,;-12.05,-1.15,;-13.39,-.38,;-13.39,-1.93,;-10.96,-2.24,;2.04,-.38,;3.37,.38,;8.71,.38,;10.17,-.09,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	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)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM476834 (US10870660, Compound III-578) Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1 |r,wU:12.12,wD:9.8,(13.39,2.49,;12.62,1.15,;11.08,1.15,;10.17,2.4,;8.71,1.93,;7.37,2.69,;6.04,1.93,;6.04,.38,;4.7,2.69,;3.37,1.93,;2.04,2.69,;.7,1.93,;.7,.38,;-.63,-.38,;-1.96,.38,;-3.3,-.38,;-3.3,-1.93,;-4.63,-2.69,;-5.96,-1.93,;-7.43,-2.4,;-8.33,-1.15,;-7.43,.09,;-5.96,-.38,;-4.63,.38,;-9.87,-1.15,;-10.96,-.07,;-12.05,-1.15,;-13.39,-.38,;-13.39,-1.93,;-10.96,-2.24,;2.04,-.38,;3.37,.38,;8.71,.38,;10.17,-.09,)| Show InChI InChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.70E+3	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)
					More data for this Ligand-Target Pair