Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 533.6 BDBM50270517

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))	BDBM50270517 (CHEMBL4127148) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN[C@@H]1CCOC1 |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)17-30(37(33,34)24-11-9-23(35-3)10-12-24)18-26(31)25(15-21-7-5-4-6-8-21)29-27(32)16-28-22-13-14-36-19-22/h4-12,20,22,25-26,28,31H,13-19H2,1-3H3,(H,29,32)/t22-,25+,26-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-GlnAsn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincuba...				Eur J Med Chem 137: 30-44 (2017) Article DOI: 10.1016/j.ejmech.2017.05.024 BindingDB Entry DOI: 10.7270/Q21J9D8D
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