Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM180203'   

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...)	BDBM180203 (US9133157, 85) 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)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C34H34F6N4O6S2/c1-50-32(47)42-29(28(21-8-4-2-5-9-21)22-10-6-3-7-11-22)31(46)43-30(34(38,39)40)27-17-16-26(51-27)25(20-45)44(19-18-33(35,36)37)52(48,49)24-14-12-23(41)13-15-24/h2-17,25,28-30,45H,18-20,41H2,1H3,(H,42,47)(H,43,46)/t25-,29+,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.330	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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