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 = 'BDBM9813'   

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)	BDBM9813 ((2S)-6-{[benzyl(propan-2-yl)carbamoyl]amino}-2-[(4...) Show SMILES CC(C)CN([C@@H](CCCCNC(=O)N(Cc1ccccc1)C(C)C)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C28H41N3O5S/c1-21(2)19-31(37(35,36)25-16-14-23(5)15-17-25)26(27(32)33)13-9-10-18-29-28(34)30(22(3)4)20-24-11-7-6-8-12-24/h6-8,11-12,14-17,21-22,26H,9-10,13,18-20H2,1-5H3,(H,29,34)(H,32,33)/t26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	-44.8	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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