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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-JWZXCJSOSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

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
Protein 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 |r,wU:4.7,wD:6.8,(8,2.24,;6.67,3.01,;5.33,2.24,;5.33,.7,;4,-.07,;5.09,-1.15,;4,-2.24,;2.91,-1.15,;4,-3.78,;5.33,-4.55,;6.67,-3.78,;8,-4.55,;9.34,-3.78,;9.34,-2.24,;8,-1.47,;6.67,-2.24,;2.67,.7,;1.33,-.07,;,.7,;-1.33,-.07,;-1.33,-1.61,;-2.67,.7,;-4,-.07,;-5.33,.7,;-5.33,2.24,;-6.67,3.01,;-8,2.24,;-9.34,3.01,;-8,.7,;-6.67,-.07,;-6.67,-1.61,;,2.24,;-1.33,3.01,;1.33,3.01,;1.33,4.55,;2.67,2.24,;4,3.01,;4,4.55,)|
Show InChI InChI=1S/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

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PC cid
PC sid
UniChem
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 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