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 = 'BDBM9815'   

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)	BDBM9815 ((2S)-6-{[bis(propan-2-yl)carbamoyl]amino}-2-[(4-me...) Show SMILES CC(C)CN([C@@H](CCCCNC(=O)N(C(C)C)C(C)C)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H41N3O5S/c1-17(2)16-26(33(31,32)21-13-11-20(7)12-14-21)22(23(28)29)10-8-9-15-25-24(30)27(18(3)4)19(5)6/h11-14,17-19,22H,8-10,15-16H2,1-7H3,(H,25,30)(H,28,29)/t22-/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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