Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50481587'   

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))	BDBM50481587 (CHEMBL599785) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOCOC1 |r| Show InChI InChI=1S/C30H39N3O7S/c1-20-9-7-8-12-22(20)16-31-27(35)26-30(2,3)41-18-33(26)28(36)25(34)24(15-21-10-5-4-6-11-21)32-29(37)40-23-13-14-38-19-39-17-23/h4-12,23-26,34H,13-19H2,1-3H3,(H,31,35)(H,32,37)/t23-,24+,25+,26-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Bioorg Med Chem Lett 20: 1241-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.123 BindingDB Entry DOI: 10.7270/Q2CJ8HB8
					More data for this Ligand-Target Pair