Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dimer of Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM3401'   

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 [489-587] (Human immunodeficiency virus type 1)	BDBM3401 (2-Butanol deriv. 8 | 2-[4-[2-(tert-Butylcarbamoyl)...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C26H36N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-14,20,29H,15-17H2,1-6H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-27.9	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3401 (2-Butanol deriv. 8 | 2-[4-[2-(tert-Butylcarbamoyl)...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C26H36N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-14,20,29H,15-17H2,1-6H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	-27.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				J Med Chem 39: 2781-94 (1996) Article DOI: 10.1021/jm960093o BindingDB Entry DOI: 10.7270/Q2K072F6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3401 (2-Butanol deriv. 8 | 2-[4-[2-(tert-Butylcarbamoyl)...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C26H36N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-14,20,29H,15-17H2,1-6H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	-27.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache...				Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX
					More data for this Ligand-Target Pair