Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 612.7 BDBM50481581

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

Found 1 hit in this display   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50481581 (CHEMBL601051) Show SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccc(N)cc1C |r| Show InChI InChI=1S/C31H40N4O7S/c1-18-13-21(32)10-9-20(18)15-33-27(37)26-31(2,3)43-17-35(26)28(38)25(36)23(14-19-7-5-4-6-8-19)34-30(39)42-24-16-41-29-22(24)11-12-40-29/h4-10,13,22-26,29,36H,11-12,14-17,32H2,1-3H3,(H,33,37)(H,34,39)/t22-,23-,24-,25-,26+,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem Lett 20: 1241-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.123 BindingDB Entry DOI: 10.7270/Q2CJ8HB8
					More data for this Ligand-Target Pair