Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 1216   

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)	BDBM10173 (lysine sulfonamide analogue 34 | pyridin-4-ylmethy...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H47N5O6S/c1-28(2)25-43(50(47,48)34-18-16-32(39)17-19-34)33(26-44)15-9-10-22-41-37(45)36(42-38(46)49-27-29-20-23-40-24-21-29)35(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-8,11-14,16-21,23-24,28,33,35-36,44H,9-10,15,22,25-27,39H2,1-2H3,(H,41,45)(H,42,46)/t33?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10177 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(c(O)c1)N(=O)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H45N5O8S/c1-26(2)24-42(52(50,51)32-19-17-30(39)18-20-32)31(25-44)15-9-10-22-40-38(47)36(41-37(46)29-16-21-33(43(48)49)34(45)23-29)35(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,35-36,44-45H,9-10,15,22,24-25,39H2,1-2H3,(H,40,47)(H,41,46)/t31?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10170 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)Cc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H47N5O5S/c1-28(2)26-43(49(47,48)34-20-18-32(39)19-21-34)33(27-44)17-9-10-23-41-38(46)37(42-35(45)24-29-12-11-22-40-25-29)36(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-8,11-16,18-22,25,28,33,36-37,44H,9-10,17,23-24,26-27,39H2,1-2H3,(H,41,46)(H,42,45)/t33?,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10172 (lysine sulfonamide analogue 33 | pyridin-3-ylmethy...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H47N5O6S/c1-28(2)25-43(50(47,48)34-20-18-32(39)19-21-34)33(26-44)17-9-10-23-41-37(45)36(42-38(46)49-27-29-12-11-22-40-24-29)35(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-8,11-16,18-22,24,28,33,35-36,44H,9-10,17,23,25-27,39H2,1-2H3,(H,41,45)(H,42,46)/t33?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10171 (lysine sulfonamide analogue 32 | pyridin-2-ylmethy...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H47N5O6S/c1-28(2)25-43(50(47,48)34-21-19-31(39)20-22-34)33(26-44)18-10-12-24-41-37(45)36(42-38(46)49-27-32-17-9-11-23-40-32)35(29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-9,11,13-17,19-23,28,33,35-36,44H,10,12,18,24-27,39H2,1-2H3,(H,41,45)(H,42,46)/t33?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10175 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccc(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H46N4O6S/c1-27(2)25-42(49(47,48)34-21-19-31(39)20-22-34)32(26-43)17-9-10-23-40-38(46)36(41-37(45)30-16-11-18-33(44)24-30)35(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,11-16,18-22,24,27,32,35-36,43-44H,9-10,17,23,25-26,39H2,1-2H3,(H,40,46)(H,41,45)/t32?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10165 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H47N5O5S/c1-27(2)25-43(49(47,48)33-21-19-31(39)20-22-33)32(26-44)17-10-11-23-41-38(46)36(42-37(45)34-18-12-24-40-28(34)3)35(29-13-6-4-7-14-29)30-15-8-5-9-16-30/h4-9,12-16,18-22,24,27,32,35-36,44H,10-11,17,23,25-26,39H2,1-3H3,(H,41,46)(H,42,45)/t32?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10169 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H45N5O6S/c1-26(2)24-42(49(47,48)32-19-17-30(38)18-20-32)31(25-43)15-9-10-22-39-37(46)35(41-36(45)29-16-21-33(44)40-23-29)34(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,34-35,43H,9-10,15,22,24-25,38H2,1-2H3,(H,39,46)(H,40,44)(H,41,45)/t31?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10162 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H45N5O5S/c1-27(2)25-42(48(46,47)32-21-19-30(38)20-22-32)31(26-43)17-9-11-24-40-37(45)35(41-36(44)33-18-10-12-23-39-33)34(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h3-8,10,12-16,18-23,27,31,34-35,43H,9,11,17,24-26,38H2,1-2H3,(H,40,45)(H,41,44)/t31?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10155 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)C1CC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C35H46N4O5S/c1-25(2)23-39(45(43,44)31-20-18-29(36)19-21-31)30(24-40)15-9-10-22-37-35(42)33(38-34(41)28-16-17-28)32(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-8,11-14,18-21,25,28,30,32-33,40H,9-10,15-17,22-24,36H2,1-2H3,(H,37,42)(H,38,41)/t30?,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10179 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES COc1cc(ccc1O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C39H48N4O7S/c1-27(2)25-43(51(48,49)33-20-18-31(40)19-21-33)32(26-44)16-10-11-23-41-39(47)37(42-38(46)30-17-22-34(45)35(24-30)50-3)36(28-12-6-4-7-13-28)29-14-8-5-9-15-29/h4-9,12-15,17-22,24,27,32,36-37,44-45H,10-11,16,23,25-26,40H2,1-3H3,(H,41,47)(H,42,46)/t32?,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10161 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C36H45N5O5S/c1-26(2)24-41(47(45,46)31-20-18-29(37)19-21-31)30(25-42)16-9-10-22-39-36(44)34(40-35(43)32-17-11-23-38-32)33(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,11-15,17-21,23,26,30,33-34,38,42H,9-10,16,22,24-25,37H2,1-2H3,(H,39,44)(H,40,43)/t30?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10176 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H46N4O6S/c1-27(2)25-42(49(47,48)34-22-18-31(39)19-23-34)32(26-43)15-9-10-24-40-38(46)36(41-37(45)30-16-20-33(44)21-17-30)35(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-23,27,32,35-36,43-44H,9-10,15,24-26,39H2,1-2H3,(H,40,46)(H,41,45)/t32?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10178 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)c(c1)N(=O)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H45N5O8S/c1-26(2)24-42(52(50,51)32-19-17-30(39)18-20-32)31(25-44)15-9-10-22-40-38(47)36(41-37(46)29-16-21-34(45)33(23-29)43(48)49)35(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,35-36,44-45H,9-10,15,22,24-25,39H2,1-2H3,(H,40,47)(H,41,46)/t31?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.480	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10157 (lysine sulfonamide analogue 18 | tert-butyl N-[(1S...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C36H50N4O6S/c1-26(2)24-40(47(44,45)31-21-19-29(37)20-22-31)30(25-41)18-12-13-23-38-34(42)33(39-35(43)46-36(3,4)5)32(27-14-8-6-9-15-27)28-16-10-7-11-17-28/h6-11,14-17,19-22,26,30,32-33,41H,12-13,18,23-25,37H2,1-5H3,(H,38,42)(H,39,43)/t30?,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10166 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(C)nc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H47N5O5S/c1-27(2)25-43(49(47,48)34-21-19-32(39)20-22-34)33(26-44)16-10-11-23-40-38(46)36(42-37(45)31-18-17-28(3)41-24-31)35(29-12-6-4-7-13-29)30-14-8-5-9-15-30/h4-9,12-15,17-22,24,27,33,35-36,44H,10-11,16,23,25-26,39H2,1-3H3,(H,40,46)(H,42,45)/t33?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10168 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(N)nc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H46N6O5S/c1-26(2)24-43(49(47,48)32-19-17-30(38)18-20-32)31(25-44)15-9-10-22-40-37(46)35(42-36(45)29-16-21-33(39)41-23-29)34(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,34-35,44H,9-10,15,22,24-25,38H2,1-2H3,(H2,39,41)(H,40,46)(H,42,45)/t31?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10159 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C36H49N5O6S/c1-27(2)25-41(48(45,46)32-18-16-30(37)17-19-32)31(26-42)15-9-10-20-38-35(43)34(39-36(44)40-21-23-47-24-22-40)33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-19,27,31,33-34,42H,9-10,15,20-26,37H2,1-2H3,(H,38,43)(H,39,44)/t31?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10163 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H45N5O5S/c1-27(2)25-42(48(46,47)33-20-18-31(38)19-21-33)32(26-43)17-9-10-23-40-37(45)35(41-36(44)30-16-11-22-39-24-30)34(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,11-16,18-22,24,27,32,34-35,43H,9-10,17,23,25-26,38H2,1-2H3,(H,40,45)(H,41,44)/t32?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10153 ((2S)-2-amino-N-[(5R)-5-[(4-aminobenzene)(2-methylp...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H42N4O4S/c1-23(2)21-35(40(38,39)28-18-16-26(32)17-19-28)27(22-36)15-9-10-20-34-31(37)30(33)29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-14,16-19,23,27,29-30,36H,9-10,15,20-22,32-33H2,1-2H3,(H,34,37)/t27?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10158 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)N(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C34H47N5O5S/c1-25(2)23-39(45(43,44)30-20-18-28(35)19-21-30)29(24-40)17-11-12-22-36-33(41)32(37-34(42)38(3)4)31(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-16,18-21,25,29,31-32,40H,11-12,17,22-24,35H2,1-4H3,(H,36,41)(H,37,42)/t29?,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10174 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H46N4O6S/c1-27(2)25-42(49(47,48)32-22-20-30(39)21-23-32)31(26-43)17-11-12-24-40-38(46)36(41-37(45)33-18-9-10-19-34(33)44)35(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h3-10,13-16,18-23,27,31,35-36,43-44H,11-12,17,24-26,39H2,1-2H3,(H,40,46)(H,41,45)/t31?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10160 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)[n+]1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C36H44N6O5S/c1-27(2)25-42(48(46,47)32-18-16-30(37)17-19-32)31(26-43)15-9-10-20-39-35(44)34(40-36(45)41-23-21-38-22-24-41)33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-19,21-24,27,31,33-34,43H,9-10,15,20,25-26,37H2,1-2H3,(H-,39,40,44,45)/p+1/t31?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10164 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H45N5O5S/c1-27(2)25-42(48(46,47)33-18-16-31(38)17-19-33)32(26-43)15-9-10-22-40-37(45)35(41-36(44)30-20-23-39-24-21-30)34(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-21,23-24,27,32,34-35,43H,9-10,15,22,25-26,38H2,1-2H3,(H,40,45)(H,41,44)/t32?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.660	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10167 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ncccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C37H45N5O6S/c1-26(2)24-42(49(47,48)31-20-18-29(38)19-21-31)30(25-43)16-9-10-22-40-36(45)35(41-37(46)34-32(44)17-11-23-39-34)33(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,11-15,17-21,23,26,30,33,35,43-44H,9-10,16,22,24-25,38H2,1-2H3,(H,40,45)(H,41,46)/t30?,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10149 (CHEMBL168640 | lysine sulfonamide analogue 13 | ly...) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10148 (lysine sulfonamide analogue 12 | methyl N-[(1S)-1-...) Show SMILES COC(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-18-16-27(34)17-19-29)28(23-38)14-9-10-20-35-32(39)31(36-33(40)43-3)21-26-13-7-8-15-30(26)25-11-5-4-6-12-25/h4-8,11-13,15-19,24,28,31,38H,9-10,14,20-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.521	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10146 (lysine sulfonamide analogue 10 | methyl N-[(1S)-1-...) Show SMILES COC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H42N4O6S/c1-22(2)20-35(42(39,40)27-16-14-25(32)15-17-27)26(21-36)12-6-7-18-33-30(37)29(34-31(38)41-3)19-24-11-8-10-23-9-4-5-13-28(23)24/h4-5,8-11,13-17,22,26,29,36H,6-7,12,18-21,32H2,1-3H3,(H,33,37)(H,34,38)/t26?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10147 (lysine sulfonamide analogue 11 | methyl N-[(1S)-1-...) Show SMILES COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C31H42N4O6S/c1-22(2)20-35(42(39,40)28-15-13-26(32)14-16-28)27(21-36)10-6-7-17-33-30(37)29(34-31(38)41-3)19-23-11-12-24-8-4-5-9-25(24)18-23/h4-5,8-9,11-16,18,22,27,29,36H,6-7,10,17,19-21,32H2,1-3H3,(H,33,37)(H,34,38)/t27?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10154 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O5S/c1-24(2)22-37(43(41,42)30-19-17-28(34)18-20-30)29(23-38)16-10-11-21-35-33(40)32(36-25(3)39)31(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-9,12-15,17-20,24,29,31-32,38H,10-11,16,21-23,34H2,1-3H3,(H,35,40)(H,36,39)/t29?,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10156 ((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...) Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)C1CCCCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C38H52N4O5S/c1-28(2)26-42(48(46,47)34-23-21-32(39)22-24-34)33(27-43)20-12-13-25-40-38(45)36(41-37(44)31-18-10-5-11-19-31)35(29-14-6-3-7-15-29)30-16-8-4-9-17-30/h3-4,6-9,14-17,21-24,28,31,33,35-36,43H,5,10-13,18-20,25-27,39H2,1-2H3,(H,40,45)(H,41,44)/t33?,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<3.80	n/a	n/a	n/a	n/a	n/a	n/a
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10145 (lysine sulfonamide analogue 9 | methyl N-[(1S)-1-{...) Show SMILES CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r| Show InChI InChI=1S/C28H38N4O4S/c1-5-19(3)29-17-26(33)23(14-20-10-8-7-9-11-20)30-28(34)22-15-24-27-21(12-13-37(35,36)31(24)4)18-32(6-2)25(27)16-22/h7-11,15-16,18-19,23,26,29,33H,5-6,12-14,17H2,1-4H3,(H,30,34)/t19-,23+,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10141 (lysine sulfonamide analogue 5 | methyl N-[(1S)-1-{...) Show SMILES COC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H40N4O6S/c1-20(2)18-31(38(35,36)24-14-12-22(28)13-15-24)23(19-32)11-7-8-16-29-26(33)25(30-27(34)37-3)17-21-9-5-4-6-10-21/h4-6,9-10,12-15,20,23,25,32H,7-8,11,16-19,28H2,1-3H3,(H,29,33)(H,30,34)/t23?,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10149 (CHEMBL168640 | lysine sulfonamide analogue 13 | ly...) Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28?,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10150 (lysine sulfonamide analogue 13RR | lysine sulfonam...) Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28?,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10143 (lysine sulfonamide analogue 7 | methyl N-[(1S)-1-{...) Show SMILES COC(=O)N[C@@H](CCc1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C28H42N4O6S/c1-21(2)19-32(39(36,37)25-15-13-23(29)14-16-25)24(20-33)11-7-8-18-30-27(34)26(31-28(35)38-3)17-12-22-9-5-4-6-10-22/h4-6,9-10,13-16,21,24,26,33H,7-8,11-12,17-20,29H2,1-3H3,(H,30,34)(H,31,35)/t24?,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10144 (lysine sulfonamide analogue 8) Show SMILES COC(=O)N1Cc2ccccc2C=C1C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |c:13| Show InChI InChI=1S/C28H38N4O6S/c1-20(2)17-32(39(36,37)25-13-11-23(29)12-14-25)24(19-33)10-6-7-15-30-27(34)26-16-21-8-4-5-9-22(21)18-31(26)28(35)38-3/h4-5,8-9,11-14,16,20,24,33H,6-7,10,15,17-19,29H2,1-3H3,(H,30,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10142 (lysine sulfonamide analogue 6 | methyl N-[(S)-{[(5...) Show SMILES COC(=O)N[C@H](C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H38N4O6S/c1-19(2)17-30(37(34,35)23-14-12-21(27)13-15-23)22(18-31)11-7-8-16-28-25(32)24(29-26(33)36-3)20-9-5-4-6-10-20/h4-6,9-10,12-15,19,22,24,31H,7-8,11,16-18,27H2,1-3H3,(H,28,32)(H,29,33)/t22?,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM10150 (lysine sulfonamide analogue 13RR | lysine sulfonam...) Show SMILES COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28?,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	4.7	30
Ambrilia Biopharma Inc.					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...				Bioorg Med Chem Lett 16: 3459-62 (2006) Article DOI: 10.1016/j.bmcl.2006.04.011 BindingDB Entry DOI: 10.7270/Q2RB72T4
					More data for this Ligand-Target Pair