Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 591.8 BDBM50481433

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))	BDBM50481433 (CHEMBL591933) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1cc3ccccc3s1)NC(=O)c1cccc(O)c1C)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C34H45N3O4S/c1-21-26(13-9-14-29(21)38)32(40)35-27(18-25-16-23-11-7-8-15-31(23)42-25)30(39)20-37-19-24-12-6-5-10-22(24)17-28(37)33(41)36-34(2,3)4/h7-9,11,13-16,22,24,27-28,30,38-39H,5-6,10,12,17-20H2,1-4H3,(H,35,40)(H,36,41)/t22-,24+,27-,28-,30+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi della Basilicata Curated by ChEMBL					Assay Description Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrate				J Med Chem 53: 1451-7 (2010) Article DOI: 10.1021/jm900846f BindingDB Entry DOI: 10.7270/Q2P271XP
					More data for this Ligand-Target Pair