Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 652.8 BDBM50067657

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))	BDBM50067657 (CHEMBL3400707) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN(CC(=O)N(C)C)c1c(C)cccc1C |r| Show InChI InChI=1S/C35H48N4O6S/c1-25(2)21-39(46(43,44)30-18-16-29(45-7)17-19-30)22-32(40)31(20-28-14-9-8-10-15-28)36-33(41)23-38(24-34(42)37(5)6)35-26(3)12-11-13-27(35)4/h8-19,25,31-32,40H,20-24H2,1-7H3,(H,36,41)/t31-,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	25
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-I...				Bioorg Med Chem Lett 25: 1880-3 (2015) Article DOI: 10.1016/j.bmcl.2015.03.047 BindingDB Entry DOI: 10.7270/Q2FT8NQ7
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