Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM468305'   

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)	BDBM468305 (US10806794, Compound di-mPEG7-Atazanavir) Show SMILES COCCOCCOCCOCCOCCOCCOCCOC(=O)N[C@@H](C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@H](NC(=O)OCCOCCOCCOCCOCCOCCOCCOC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C66H108N6O21/c1-65(2,3)59(69-63(76)92-48-46-90-44-42-88-40-38-86-36-34-84-32-30-82-28-26-80-24-22-78-7)61(74)68-57(50-53-14-10-9-11-15-53)58(73)52-72(51-54-17-19-55(20-18-54)56-16-12-13-21-67-56)71-62(75)60(66(4,5)6)70-64(77)93-49-47-91-45-43-89-41-39-87-37-35-85-33-31-83-29-27-81-25-23-79-8/h9-21,57-60,73H,22-52H2,1-8H3,(H,68,74)(H,69,76)(H,70,77)(H,71,75)/t57?,58-,59-,60-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	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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