BDBM168612 US9079834, 7

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

InChI Key: InChIKey=QUASHNXNAHKHRM-FIBWVYCGSA-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 = 168612   

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...)	BDBM168612 (US9079834, 7) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)(F)CC[C@H](N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2ncsc2c1)C(N)=O |r| Show InChI InChI=1S/C35H37F4N5O6S2/c1-50-33(47)43-30(29(23-8-4-2-5-9-23)24-10-6-3-7-11-24)32(46)41-20-34(36,37)15-14-27(31(40)45)44(19-22-17-35(38,39)18-22)52(48,49)25-12-13-26-28(16-25)51-21-42-26/h2-13,16,21-22,27,29-30H,14-15,17-20H2,1H3,(H2,40,45)(H,41,46)(H,43,47)/t27-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.430	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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