BDBM476869 US10870660, Compound II-077

SMILES: COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1

InChI Key: InChIKey=ZTUVVTSLJSCZMY-UAPYVXQJSA-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 = 476869   

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))	BDBM476869 (US10870660, Compound II-077) Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:12.12,wD:9.8,(13.88,.76,;13.11,2.1,;11.57,2.1,;10.54,3.24,;9.13,2.61,;7.8,3.38,;6.46,2.61,;6.46,1.07,;5.13,3.38,;3.8,2.61,;2.46,3.38,;1.13,2.61,;1.13,1.07,;-.2,.3,;-1.54,1.07,;-2.87,.3,;-2.76,-1.23,;-3.89,-2.28,;-5.41,-2.05,;-6.18,-3.38,;-7.72,-3.38,;-8.49,-2.05,;-10.03,-2.05,;-10.8,-.72,;-12.34,-.72,;-13.11,.62,;-13.11,-2.05,;-13.88,-.72,;-7.72,-.72,;-6.18,-.72,;-5.62,.72,;-4.14,1.17,;2.46,.3,;3.8,1.07,;9.29,1.08,;10.8,.76,)| Show InChI InChI=1S/C25H33F3N4O4/c1-34-24-15-20(36-31-24)14-22(33)29-19-5-2-17(3-6-19)8-11-32-12-9-18-4-7-23(30-21(18)10-13-32)35-16-25(26,27)28/h4,7,15,17,19H,2-3,5-6,8-14,16H2,1H3,(H,29,33)/t17-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0950	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))	BDBM476869 (US10870660, Compound II-077) Show SMILES COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)on1 |r,wU:12.12,wD:9.8,(13.88,.76,;13.11,2.1,;11.57,2.1,;10.54,3.24,;9.13,2.61,;7.8,3.38,;6.46,2.61,;6.46,1.07,;5.13,3.38,;3.8,2.61,;2.46,3.38,;1.13,2.61,;1.13,1.07,;-.2,.3,;-1.54,1.07,;-2.87,.3,;-2.76,-1.23,;-3.89,-2.28,;-5.41,-2.05,;-6.18,-3.38,;-7.72,-3.38,;-8.49,-2.05,;-10.03,-2.05,;-10.8,-.72,;-12.34,-.72,;-13.11,.62,;-13.11,-2.05,;-13.88,-.72,;-7.72,-.72,;-6.18,-.72,;-5.62,.72,;-4.14,1.17,;2.46,.3,;3.8,1.07,;9.29,1.08,;10.8,.76,)| Show InChI InChI=1S/C25H33F3N4O4/c1-34-24-15-20(36-31-24)14-22(33)29-19-5-2-17(3-6-19)8-11-32-12-9-18-4-7-23(30-21(18)10-13-32)35-16-25(26,27)28/h4,7,15,17,19H,2-3,5-6,8-14,16H2,1H3,(H,29,33)/t17-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.80E+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