BDBM288040 US10087178, Example 21

SMILES: CC(C)N1C[C@]2(C[C@H]2CS(C)(=O)=O)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O

InChI Key: InChIKey=JNONZHQDNUSQJV-PSLXWICFSA-N

Data: 1 EC50

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 = 288040   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein Nef (Human immunodeficiency virus type 1 (isolate BRU/L...)	BDBM288040 (US10087178, Example 21) Show SMILES CC(C)N1C[C@]2(C[C@H]2CS(C)(=O)=O)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O |r| Show InChI InChI=1S/C23H25ClFN3O6S/c1-12(2)27-11-23(7-14(23)10-35(3,33)34)28-9-15(19(29)20(30)18(28)22(27)32)21(31)26-8-13-5-4-6-16(24)17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	25
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
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