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SMILES: CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F

InChI Key: InChIKey=ADNMWHFULCNNMU-IPVJXJPOSA-N

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 = 288054   
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
Protein Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288054
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-cis-3-methoxy-2...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:4.4,wD:2.1,(6.67,-4.55,;5.33,-3.78,;5.33,-2.24,;6.42,-1.15,;5.33,-.07,;4.25,-1.15,;6.67,.7,;6.67,2.24,;8,3.01,;5.33,3.01,;5.33,4.55,;4,2.24,;2.67,3.01,;2.67,4.55,;1.33,2.24,;,3.01,;1.33,.7,;2.67,-.07,;4,.7,;,-.07,;,-1.61,;-1.33,.7,;-2.67,-.07,;-4,.7,;-4,2.24,;-5.33,3.01,;-6.67,2.24,;-8,3.01,;-6.67,.7,;-5.33,-.07,;-5.33,-1.61,)|
Show InChI InChI=1S/C21H21F2N3O5/c1-25-10-21(6-13(7-21)31-2)26-9-14(17(27)18(28)16(26)20(25)30)19(29)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,28H,6-8,10H2,1-2H3,(H,24,29)/t13-,21+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.90n/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 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