Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM180191'   

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 (Human immunodeficiency virus type 1 group M subtyp...)	BDBM180191 (US9133157, 73) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2ncccc2c1)C(F)(F)F |r| Show InChI InChI=1S/C40H43F3N4O6S2/c1-39(2,3)21-23-47(55(51,52)29-17-18-30-28(24-29)16-11-22-44-30)31(25-48)32-19-20-33(54-32)36(40(41,42)43)46-37(49)35(45-38(50)53-4)34(26-12-7-5-8-13-26)27-14-9-6-10-15-27/h5-20,22,24,31,34-36,48H,21,23,25H2,1-4H3,(H,45,50)(H,46,49)/t31-,35+,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.03	n/a	n/a	n/a	n/a	5.5	25
Merck Canada Inc. US Patent					Assay Description The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...				US Patent US9133157 (2015) BindingDB Entry DOI: 10.7270/Q2Q52NDV
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