Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50522182'   

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))	BDBM50522182 (CHEMBL4556792) Show SMILES COCCOc1c(N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c(=O)c1=O |r| Show InChI InChI=1S/C28H36N2O8S/c1-19(2)17-30(39(34,35)22-12-10-21(37-4)11-13-22)18-24(31)23(16-20-8-6-5-7-9-20)29-25-26(32)27(33)28(25)38-15-14-36-3/h5-13,19,23-24,29,31H,14-18H2,1-4H3/t23-,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.96E+3	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 using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 substrate by continuous fluorometric assay				Bioorg Med Chem Lett 29: 2565-2570 (2019) Article DOI: 10.1016/j.bmcl.2019.08.006 BindingDB Entry DOI: 10.7270/Q2JM2F1C
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