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BDBM288125 7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-methoxy-2'-methyl-1',8'- dioxo-1',2',3',8'- tetrahydrospiro[cyclobutane- 1,4'-pyrido[1,2-a]pyrazin]- 9'-yl isobutyrate::US10087178, Example S66

SMILES: CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F

InChI Key: InChIKey=SRYDLRVMGSZZRS-AHPHSXTOSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288125   
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...)
BDBM288125
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C25H27ClFN3O6/c1-13(2)24(34)36-21-19-23(33)29(3)12-25(8-15(9-25)35-4)30(19)11-16(20(21)31)22(32)28-10-14-6-5-7-17(26)18(14)27/h5-7,11,13,15H,8-10,12H2,1-4H3,(H,28,32)/t15-,25+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.900n/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)


BindingDB Entry DOI: 10.7270/Q20C4XSD
More data for this
Ligand-Target Pair