BDBM180175 US9133157, 57

SMILES: COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cn1)C(F)(F)F

InChI Key: InChIKey=XQVMNMRWUNWWBU-WHODAWOQSA-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 = 180175   

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...)	BDBM180175 (US9133157, 57) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc(N)cn1)C(F)(F)F |r| Show InChI InChI=1S/C36H42F3N5O6S2/c1-35(2,3)19-20-44(52(48,49)29-18-15-25(40)21-41-29)26(22-45)27-16-17-28(51-27)32(36(37,38)39)43-33(46)31(42-34(47)50-4)30(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,21,26,30-32,45H,19-20,22,40H2,1-4H3,(H,42,47)(H,43,46)/t26-,31+,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.32	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
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