Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 639.2 BDBM50478138

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))	BDBM50478138 (CHEMBL256934 | SM-309515) Show SMILES COc1cccc(C[C@H](NC(=O)c2cccc(N)c2Cl)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)c1 Show InChI InChI=1S/C33H39ClN4O5S/c1-19-9-6-10-20(2)24(19)17-36-31(41)29-33(3,4)44-18-38(29)32(42)28(39)26(16-21-11-7-12-22(15-21)43-5)37-30(40)23-13-8-14-25(35)27(23)34/h6-15,26,28-29,39H,16-18,35H2,1-5H3,(H,36,41)(H,37,40)/t26-,28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X
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