BDBM476859 US10870660, Compound II-005

SMILES: Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)s1

InChI Key: InChIKey=XGFFXWPMGJJBFH-KESTWPANSA-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 = 476859   

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))	BDBM476859 (US10870660, Compound II-005) Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)s1 |r,wU:12.12,wD:9.8,(13.07,1.84,;11.53,1.84,;10.63,.6,;9.16,1.07,;9.16,2.61,;7.83,3.38,;6.5,2.61,;6.5,1.07,;5.16,3.38,;3.83,2.61,;2.5,3.38,;1.16,2.61,;1.16,1.07,;-.17,.3,;-1.5,1.07,;-2.84,.3,;-2.72,-1.23,;-3.85,-2.28,;-5.37,-2.05,;-6.14,-3.38,;-7.68,-3.38,;-8.45,-2.05,;-9.99,-2.05,;-10.76,-.72,;-12.3,-.72,;-13.07,-2.05,;-13.07,.62,;-7.68,-.72,;-6.14,-.72,;-5.58,.72,;-4.11,1.17,;2.5,.3,;3.83,1.07,;10.63,3.09,)| Show InChI InChI=1S/C25H34F2N4O2S/c1-17-28-15-21(34-17)14-24(32)29-20-5-2-18(3-6-20)8-11-31-12-9-19-4-7-25(33-16-23(26)27)30-22(19)10-13-31/h4,7,15,18,20,23H,2-3,5-6,8-14,16H2,1H3,(H,29,32)/t18-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0850	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))	BDBM476859 (US10870660, Compound II-005) Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)s1 |r,wU:12.12,wD:9.8,(13.07,1.84,;11.53,1.84,;10.63,.6,;9.16,1.07,;9.16,2.61,;7.83,3.38,;6.5,2.61,;6.5,1.07,;5.16,3.38,;3.83,2.61,;2.5,3.38,;1.16,2.61,;1.16,1.07,;-.17,.3,;-1.5,1.07,;-2.84,.3,;-2.72,-1.23,;-3.85,-2.28,;-5.37,-2.05,;-6.14,-3.38,;-7.68,-3.38,;-8.45,-2.05,;-9.99,-2.05,;-10.76,-.72,;-12.3,-.72,;-13.07,-2.05,;-13.07,.62,;-7.68,-.72,;-6.14,-.72,;-5.58,.72,;-4.11,1.17,;2.5,.3,;3.83,1.07,;10.63,3.09,)| Show InChI InChI=1S/C25H34F2N4O2S/c1-17-28-15-21(34-17)14-24(32)29-20-5-2-18(3-6-20)8-11-31-12-9-19-4-7-25(33-16-23(26)27)30-22(19)10-13-31/h4,7,15,18,20,23H,2-3,5-6,8-14,16H2,1H3,(H,29,32)/t18-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	430	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