Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50481030'   

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))	BDBM50481030 (CHEMBL570827) Show SMILES CC(C)[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)C(C)C |r| Show InChI InChI=1S/C46H58N4O8/c1-29(2)39(49-43(55)37(51)27-33-21-13-7-14-22-33)45(57)47-35(25-31-17-9-5-10-18-31)41(53)42(54)36(26-32-19-11-6-12-20-32)48-46(58)40(30(3)4)50-44(56)38(52)28-34-23-15-8-16-24-34/h5-24,29-30,35-42,51-54H,25-28H2,1-4H3,(H,47,57)(H,48,58)(H,49,55)(H,50,56)/t35-,36-,37-,38-,39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Lavras Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity				Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K
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