Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM468561'   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM468561 (US10806794, Compound mPEG7-N-Darunavir) Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 |r| Show InChI InChI=1S/C42H67N3O14S/c1-33(2)30-45(31-39(46)38(29-34-7-5-4-6-8-34)44-42(47)59-40-32-58-41-37(40)13-15-57-41)60(48,49)36-11-9-35(10-12-36)43-14-16-51-19-20-53-23-24-55-27-28-56-26-25-54-22-21-52-18-17-50-3/h4-12,33,37-41,43,46H,13-32H2,1-3H3,(H,44,47)/t37-,38-,39?,40-,41+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Nektar Therapeutics US Patent					Assay Description Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...				US Patent US10806794 (2020) BindingDB Entry DOI: 10.7270/Q2QR516Q
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