Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM180222'   

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...)	BDBM180222 (US9133157, 104) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(F)(F)F)S(=O)(=O)c1ccc2ncsc2c1)C(F)(F)F |r| Show InChI InChI=1S/C35H32F6N4O6S3/c1-51-33(48)43-30(29(21-8-4-2-5-9-21)22-10-6-3-7-11-22)32(47)44-31(35(39,40)41)27-15-14-26(53-27)25(19-46)45(17-16-34(36,37)38)54(49,50)23-12-13-24-28(18-23)52-20-42-24/h2-15,18,20,25,29-31,46H,16-17,19H2,1H3,(H,43,48)(H,44,47)/t25-,30+,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.850	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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