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

InChI Key: InChIKey=FGCRCCUZOWTBAK-QFMRLBMFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288072   
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...)		BDBM288072
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-trans-3-isoprop...)
Show SMILES CC(C)O[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F |r,wU:6.5,4.3,(6,-5.32,;6,-3.78,;7.34,-3.01,;4.67,-3.01,;4.67,-1.47,;3.58,-.39,;4.67,.7,;5.76,-.39,;6,1.47,;6,3.01,;7.34,3.78,;8.67,3.01,;7.34,5.32,;4.67,3.78,;4.67,5.32,;3.33,3.01,;2,3.78,;2,5.32,;.67,3.01,;-.67,3.78,;.67,1.47,;2,.7,;3.33,1.47,;-.67,.7,;-.67,-.84,;-2,1.47,;-3.33,.7,;-4.67,1.47,;-4.67,3.01,;-6,3.78,;-7.34,3.01,;-8.67,3.78,;-7.34,1.47,;-6,.7,;-6,-.84,)|
Show InChI InChI=1S/C25H29F2N3O5/c1-13(2)29-12-25(8-17(9-25)35-14(3)4)30-11-18(21(31)22(32)20(30)24(29)34)23(33)28-10-15-5-6-16(26)7-19(15)27/h5-7,11,13-14,17,32H,8-10,12H2,1-4H3,(H,28,33)/t17-,25-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.60n/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