BDBM288042 US10087178, Example S2::cis-3-(benzyloxy)-N-(2,4- difluorobenzyl)-9'-hydroxy- 2'-isopropyl-1',8'-dioxo- 1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrochloride

SMILES: CC(C)N1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O

InChI Key: InChIKey=VYOZOLHJVLSBES-BXDARHBISA-N

Data: 1 EC50

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 1 hit for monomerid = 288042   

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
HIV-1 Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288042 (US10087178, Example S2 | cis-3-(benzyloxy)-N-(2,4-...) Show SMILES CC(C)N1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O |r,wU:5.8,wD:7.9,(6.67,4.55,;6.67,3.01,;8,2.24,;5.33,2.24,;5.33,.7,;4,-.07,;5.09,-1.15,;4,-2.24,;2.91,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)| Show InChI InChI=1S/C29H29F2N3O5/c1-17(2)33-16-29(11-21(12-29)39-15-18-6-4-3-5-7-18)34-14-22(25(35)26(36)24(34)28(33)38)27(37)32-13-19-8-9-20(30)10-23(19)31/h3-10,14,17,21,36H,11-13,15-16H2,1-2H3,(H,32,37)/t21-,29+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	25
JAPAN TOBACCO INC. US Patent					Assay Description The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1×105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...				US Patent US10087178 (2018) BindingDB Entry DOI: 10.7270/Q20C4XSD
					More data for this Ligand-Target Pair