Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 664.7 BDBM50483113

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))	BDBM50483113 (CHEMBL1276070) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1ccc2ncsc2c1 |r| Show InChI InChI=1S/C33H36N4O7S2/c1-21(2)17-36(46(42,43)26-13-14-27-31(16-26)45-20-34-27)18-29(39)28(15-23-7-5-4-6-8-23)35-32(40)30-19-37(33(41)44-30)25-11-9-24(10-12-25)22(3)38/h4-14,16,20-21,28-30,39H,15,17-19H2,1-3H3,(H,35,40)/t28-,29+,30-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0730	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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