BDBM180188 US9133157, 70

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(NC(=O)OC)cc1)C(F)(F)F

InChI Key: InChIKey=WXHKDCQLBLHYLT-IUXHJFJISA-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 = 180188   

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...)	BDBM180188 (US9133157, 70) 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(NC(=O)OC)cc1)C(F)(F)F |r| Show InChI InChI=1S/C39H45F3N4O8S2/c1-38(2,3)22-23-46(56(51,52)28-18-16-27(17-19-28)43-36(49)53-4)29(24-47)30-20-21-31(55-30)34(39(40,41)42)45-35(48)33(44-37(50)54-5)32(25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-21,29,32-34,47H,22-24H2,1-5H3,(H,43,49)(H,44,50)(H,45,48)/t29-,33+,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.16	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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