Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [501-599]' and Ligand = 'BDBM9811'   

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
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM9811 ((2S)-6-{[benzyl(2-phenylethyl)carbamoyl]amino}-2-[...) Show SMILES CC(C)CN([C@@H](CCCCNC(=O)N(CCc1ccccc1)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C33H43N3O5S/c1-26(2)24-36(42(40,41)30-19-17-27(3)18-20-30)31(32(37)38)16-10-11-22-34-33(39)35(25-29-14-8-5-9-15-29)23-21-28-12-6-4-7-13-28/h4-9,12-15,17-20,26,31H,10-11,16,21-25H2,1-3H3,(H,34,39)(H,37,38)/t31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>300	>-37.9	n/a	n/a	n/a	n/a	n/a	4.7	30
Procyon Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...				Bioorg Med Chem Lett 14: 3971-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.049 BindingDB Entry DOI: 10.7270/Q22V2DB2
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