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BDBM288075 7'-(2,4- difluorobenzylcarbamoyl)-9'- hydroxy-2'-isopropyl-1',8'- dioxo-1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- cis-3-yl methanesulfonate hydrochloride::US10087178, Example S35

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

InChI Key: InChIKey=HHALPNWYHPEFEY-GUJKFWMDNA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288075   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288075
PNG
(7'-(2,4- difluorobenzylcarbamoyl)-9'- hydroxy-2'-i...)
Show SMILES CC(C)N1C[C@]2(C[C@@H](C2)OS(C)(=O)=O)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1/C23H25F2N3O7S/c1-12(2)27-11-23(7-15(8-23)35-36(3,33)34)28-10-16(19(29)20(30)18(28)22(27)32)21(31)26-9-13-4-5-14(24)6-17(13)25/h4-6,10,12,15,30H,7-9,11H2,1-3H3,(H,26,31)/t15-,23+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 7.30n/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)


Article DOI: 10.1016/j.bmcl.2005.12.040
BindingDB Entry DOI: 10.7270/Q20C4XSD
More data for this
Ligand-Target Pair