Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 533.6 BDBM50270618

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))	BDBM50270618 (CHEMBL4127040) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CN[C@H]1CCOC1)S(=O)(=O)c1ccc(CO)cc1 |r| Show InChI InChI=1S/C27H39N3O6S/c1-20(2)16-30(37(34,35)24-10-8-22(18-31)9-11-24)17-26(32)25(14-21-6-4-3-5-7-21)29-27(33)15-28-23-12-13-36-19-23/h3-11,20,23,25-26,28,31-32H,12-19H2,1-2H3,(H,29,33)/t23-,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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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