Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 596.6 BDBM50483109

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))	BDBM50483109 (CHEMBL1276054) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1O)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C30H36N4O7S/c1-20(2)17-33(42(39,40)23-14-12-22(31)13-15-23)18-27(36)24(16-21-8-4-3-5-9-21)32-29(37)28-19-34(30(38)41-28)25-10-6-7-11-26(25)35/h3-15,20,24,27-28,35-36H,16-19,31H2,1-2H3,(H,32,37)/t24-,27+,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.40	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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