Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 677.6 BDBM50483114

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483114 (CHEMBL1276058) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C32H34F3N3O8S/c1-20(2)16-37(47(42,43)22-12-13-27-28(15-22)45-19-44-27)17-26(39)24(14-21-8-4-3-5-9-21)36-30(40)29-18-38(31(41)46-29)25-11-7-6-10-23(25)32(33,34)35/h3-13,15,20,24,26,29,39H,14,16-19H2,1-2H3,(H,36,40)/t24-,26+,29-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Massachusetts Medical School Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease by FRET				J Med Chem 53: 7699-708 (2010) Article DOI: 10.1021/jm1008743 BindingDB Entry DOI: 10.7270/Q2BZ68WM
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