BDBM168609 US9079834, 4

SMILES: COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)(F)CC[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2ncsc2c1

InChI Key: InChIKey=DSMYNVTZEHCIAT-HVNZXBJASA-N

Data: 1 IC50

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 = 168609   

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
Gag-Pol polyprotein (Human immunodeficiency virus type 1 group M subtyp...)	BDBM168609 (US9079834, 4) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)(F)CC[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C35H38F4N4O6S2/c1-49-33(46)42-31(30(24-8-4-2-5-9-24)25-10-6-3-7-11-25)32(45)40-21-34(36,37)15-14-26(20-44)43(19-23-17-35(38,39)18-23)51(47,48)27-12-13-28-29(16-27)50-22-41-28/h2-13,16,22-23,26,30-31,44H,14-15,17-21H2,1H3,(H,40,45)(H,42,46)/t26-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Canada Inc. US Patent					Assay Description Assays for the inhibition of acute HIV infection of T-lymphoid cells were conducted in accordance with Vacca, J.P. et al, Proc. Natl. Acad. Sci. USA ...				US Patent US9079834 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J44
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