Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50541389'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50541389 (CHEMBL4648367) Show SMILES O[C@H](CN(C1CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H30F3N3O5S/c26-25(27,28)19-6-10-21(11-7-19)37(34,35)31(20-8-9-20)17-23(32)22(16-18-4-2-1-3-5-18)29-24(33)30-12-14-36-15-13-30/h1-7,10-11,20,22-23,32H,8-9,12-17H2,(H,29,33)/t22-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Jinzhou Medical University Curated by ChEMBL					Assay Description Inhibition of HIV1 protease by FRET assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127019 BindingDB Entry DOI: 10.7270/Q2M61PS7
					More data for this Ligand-Target Pair