Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein' and Ligand = 'BDBM180207'   

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...)	BDBM180207 (US9133157, 89) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCc1ccccc1)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r| Show InChI InChI=1S/C39H39F3N4O6S2/c1-52-38(49)44-35(34(27-13-7-3-8-14-27)28-15-9-4-10-16-28)37(48)45-36(39(40,41)42)33-22-21-32(53-33)31(25-47)46(24-23-26-11-5-2-6-12-26)54(50,51)30-19-17-29(43)18-20-30/h2-22,31,34-36,47H,23-25,43H2,1H3,(H,44,49)(H,45,48)/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	2.60	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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