Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 616.0 BDBM50510460

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))	BDBM50510460 (CHEMBL4530761) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c(Cl)ncnc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C27H30ClN7O6S/c1-18(2)13-34(42(40,41)21-10-8-20(9-11-21)35(38)39)14-23(36)22(12-19-6-4-3-5-7-19)32-24(37)15-33-17-31-25-26(28)29-16-30-27(25)33/h3-11,16-18,22-23,36H,12-15H2,1-2H3,(H,32,37)/t22-,23+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	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 wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				Bioorg Med Chem Lett 29: 1541-1545 (2019) Article DOI: 10.1016/j.bmcl.2019.03.049 BindingDB Entry DOI: 10.7270/Q20P13BM
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