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BDBM288056 US10087178, Example S16::cis-3-(benzyloxy)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydroxy-1',8'-dioxo- 1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazine]- 7'-carboxamide hydrochloride

SMILES: CCN1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O

InChI Key: InChIKey=OCSBORRFSTYEMM-JWZXCJSONA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288056   
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...)
BDBM288056
PNG
(US10087178, Example S16 | cis-3-(benzyloxy)-N-(2,4...)
Show SMILES CCN1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1/C28H27F2N3O5/c1-2-32-16-28(11-20(12-28)38-15-17-6-4-3-5-7-17)33-14-21(24(34)25(35)23(33)27(32)37)26(36)31-13-18-8-9-19(29)10-22(18)30/h3-10,14,20,35H,2,11-13,15-16H2,1H3,(H,31,36)/t20-,28+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 7.80n/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