Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50483340'   

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))	BDBM50483340 (CHEMBL1651157) Show SMILES [H][C@]12CCC[C@@]1([H])[C@H](CCC2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C31H44N2O6S/c1-22(2)20-33(40(36,37)26-17-15-25(38-3)16-18-26)21-29(34)28(19-23-9-5-4-6-10-23)32-31(35)39-30-14-8-12-24-11-7-13-27(24)30/h4-6,9-10,15-18,22,24,27-30,34H,7-8,11-14,19-21H2,1-3H3,(H,32,35)/t24-,27-,28+,29-,30+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	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				J Med Chem 54: 622-34 (2011) Article DOI: 10.1021/jm1012787 BindingDB Entry DOI: 10.7270/Q2BV7KG9
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