Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 1144   

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,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9236 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H38N2O8S/c1-19(2)16-30(39(33,34)22-11-9-21(35-3)10-12-22)17-25(31)24(15-20-7-5-4-6-8-20)29-28(32)38-26-18-37-27-23(26)13-14-36-27/h4-12,19,23-27,31H,13-18H2,1-3H3,(H,29,32)/t23-,24-,25+,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0150	-61.8	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM563 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl (1S,2R...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 |r| Show InChI InChI=1S/C31H47N3O6/c1-31(2,3)33-28(36)25-16-21-11-7-8-12-22(21)17-34(25)18-26(35)24(15-20-9-5-4-6-10-20)32-30(37)40-27-19-39-29-23(27)13-14-38-29/h4-6,9-10,21-27,29,35H,7-8,11-19H2,1-3H3,(H,32,37)(H,33,36)/t21-,22+,23-,24-,25-,26+,27-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9258 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC(C)CCCCCCCCCCOC1=O |r| Show InChI InChI=1S/C31H48N2O7/c1-23-13-9-6-4-2-3-5-7-12-17-38-31(36)33(20-23)21-27(34)26(19-24-14-10-8-11-15-24)32-30(35)40-28-22-39-29-25(28)16-18-37-29/h8,10-11,14-15,23,25-29,34H,2-7,9,12-13,16-22H2,1H3,(H,32,35)/t23?,25-,26-,27+,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	-46.9	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9257 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC(C)CC=CCCCCCCCOC1=O |r,w:32.35| Show InChI InChI=1S/C31H46N2O7/c1-23-13-9-6-4-2-3-5-7-12-17-38-31(36)33(20-23)21-27(34)26(19-24-14-10-8-11-15-24)32-30(35)40-28-22-39-29-25(28)16-18-37-29/h6,8-11,14-15,23,25-29,34H,2-5,7,12-13,16-22H2,1H3,(H,32,35)/t23?,25-,26-,27+,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-45.4	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9249 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCOC1=O |r| Show InChI InChI=1S/C30H46N2O7/c33-26(21-32-17-12-7-5-3-1-2-4-6-8-13-18-37-30(32)35)25(20-23-14-10-9-11-15-23)31-29(34)39-27-22-38-28-24(27)16-19-36-28/h9-11,14-15,24-28,33H,1-8,12-13,16-22H2,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.8	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9255 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C(C)CCCCCCCCCCCOC1=O |r| Show InChI InChI=1S/C31H48N2O7/c1-23-14-10-7-5-3-2-4-6-8-13-18-38-31(36)33(23)21-27(34)26(20-24-15-11-9-12-16-24)32-30(35)40-28-22-39-29-25(28)17-19-37-29/h9,11-12,15-16,23,25-29,34H,2-8,10,13-14,17-22H2,1H3,(H,32,35)/t23?,25-,26-,27+,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-42.9	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9254 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C(C)CC=CCCCCCCCCOC1=O |r,w:31.34| Show InChI InChI=1S/C31H46N2O7/c1-23-14-10-7-5-3-2-4-6-8-13-18-38-31(36)33(23)21-27(34)26(20-24-15-11-9-12-16-24)32-30(35)40-28-22-39-29-25(28)17-19-37-29/h7,9-12,15-16,23,25-29,34H,2-6,8,13-14,17-22H2,1H3,(H,32,35)/t23?,25-,26-,27+,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-41.5	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9246 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCOC1=O |r| Show InChI InChI=1S/C29H44N2O7/c32-25(20-31-16-11-6-4-2-1-3-5-7-12-17-36-29(31)34)24(19-22-13-9-8-10-14-22)30-28(33)38-26-21-37-27-23(26)15-18-35-27/h8-10,13-14,23-27,32H,1-7,11-12,15-21H2,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	-40.5	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9244 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC=CCCOC1=O |r,w:35.37| Show InChI InChI=1S/C30H44N2O7/c33-26(21-32-17-12-7-5-3-1-2-4-6-8-13-18-37-30(32)35)25(20-23-14-10-9-11-15-23)31-29(34)39-27-22-38-28-24(27)16-19-36-28/h6,8-11,14-15,24-28,33H,1-5,7,12-13,16-22H2,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	88	-40.3	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9242 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCCCCCCCOC1=O |r,c:31| Show InChI InChI=1S/C29H42N2O7/c32-25(20-31-16-11-6-4-2-1-3-5-7-12-17-36-29(31)34)24(19-22-13-9-8-10-14-22)30-28(33)38-26-21-37-27-23(26)15-18-35-27/h6,8-11,13-14,23-27,32H,1-5,7,12,15-21H2,(H,30,33)/b11-6-/t23-,24-,25+,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	125	-39.4	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9251 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCC=CCCCCCCC(OC1=O)c1ccccc1 |r,w:32.35| Show InChI InChI=1S/C37H50N2O7/c40-32(31(25-28-17-11-9-12-18-28)38-36(41)45-34-27-44-35-30(34)22-24-43-35)26-39-23-16-8-6-4-2-1-3-5-7-15-21-33(46-37(39)42)29-19-13-10-14-20-29/h2,4,9-14,17-20,30-35,40H,1,3,5-8,15-16,21-27H2,(H,38,41)/t30-,31-,32+,33?,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	162	-38.8	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9245 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC=CCC(OC1=O)c1ccccc1 |r,w:35.37| Show InChI InChI=1S/C36H48N2O7/c39-31(30(24-27-16-10-8-11-17-27)37-35(40)44-33-26-43-34-29(33)21-23-42-34)25-38-22-15-7-5-3-1-2-4-6-14-20-32(45-36(38)41)28-18-12-9-13-19-28/h6,8-14,16-19,29-34,39H,1-5,7,15,20-26H2,(H,37,40)/t29-,30-,31+,32?,33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	167	-38.7	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9247 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCC(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C35H48N2O7/c38-30(29(23-26-15-9-7-10-16-26)36-34(39)43-32-25-42-33-28(32)20-22-41-33)24-37-21-14-6-4-2-1-3-5-13-19-31(44-35(37)40)27-17-11-8-12-18-27/h7-12,15-18,28-33,38H,1-6,13-14,19-25H2,(H,36,39)/t28-,29-,30+,31?,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	189	-38.4	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9243 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCCCCCCC(OC1=O)c1ccccc1 |r,c:31| Show InChI InChI=1S/C35H46N2O7/c38-30(29(23-26-15-9-7-10-16-26)36-34(39)43-32-25-42-33-28(32)20-22-41-33)24-37-21-14-6-4-2-1-3-5-13-19-31(44-35(37)40)27-17-11-8-12-18-27/h6-12,14-18,28-33,38H,1-5,13,19-25H2,(H,36,39)/b14-6-/t28-,29-,30+,31?,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	229	-37.9	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9252 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCC(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C37H52N2O7/c40-32(31(25-28-17-11-9-12-18-28)38-36(41)45-34-27-44-35-30(34)22-24-43-35)26-39-23-16-8-6-4-2-1-3-5-7-15-21-33(46-37(39)42)29-19-13-10-14-20-29/h9-14,17-20,30-35,40H,1-8,15-16,21-27H2,(H,38,41)/t30-,31-,32+,33?,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	268	-37.5	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9248 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCC(OC1=O)c1ccccc1 |r| Show InChI InChI=1S/C36H50N2O7/c39-31(30(24-27-16-10-8-11-17-27)37-35(40)44-33-26-43-34-29(33)21-23-42-34)25-38-22-15-7-5-3-1-2-4-6-14-20-32(45-36(38)41)28-18-12-9-13-19-28/h8-13,16-19,29-34,39H,1-7,14-15,20-26H2,(H,37,40)/t29-,30-,31+,32?,33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	357	-36.8	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9250 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCC=C)C(=O)OC(CCCCCCC=C)c1ccccc1 |r| Show InChI InChI=1S/C39H54N2O7/c1-3-5-7-9-10-17-23-35(31-21-15-12-16-22-31)48-39(44)41(25-18-8-6-4-2)28-34(42)33(27-30-19-13-11-14-20-30)40-38(43)47-36-29-46-37-32(36)24-26-45-37/h3-4,11-16,19-22,32-37,42H,1-2,5-10,17-18,23-29H2,(H,40,43)/t32-,33-,34+,35?,36-,37+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	444	-36.3	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9256 (acyclic urethane 31 | non-8-en-1-yl N-[(2R,3S)-3-(...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)CC=C)C(=O)OCCCCCCCC=C |r| Show InChI InChI=1S/C33H50N2O7/c1-4-6-7-8-9-10-14-19-40-33(38)35(22-25(3)15-5-2)23-29(36)28(21-26-16-12-11-13-17-26)34-32(37)42-30-24-41-31-27(30)18-20-39-31/h4-5,11-13,16-17,25,27-31,36H,1-2,6-10,14-15,18-24H2,3H3,(H,34,37)/t25?,27-,28-,29+,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9239 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)C(=O)OC(CCCCCCCC=C)c1ccccc1 |r| Show InChI InChI=1S/C37H50N2O7/c1-3-5-6-7-8-9-16-21-33(29-19-14-11-15-20-29)46-37(42)39(23-4-2)26-32(40)31(25-28-17-12-10-13-18-28)38-36(41)45-34-27-44-35-30(34)22-24-43-35/h3-4,10-15,17-20,30-35,40H,1-2,5-9,16,21-27H2,(H,38,41)/t30-,31-,32+,33?,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9240 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCCCCCC=C)C(=O)OC(CC=C)c1ccccc1 |r| Show InChI InChI=1S/C38H52N2O7/c1-3-5-6-7-8-9-10-17-24-40(38(43)47-34(18-4-2)30-21-15-12-16-22-30)27-33(41)32(26-29-19-13-11-14-20-29)39-37(42)46-35-28-45-36-31(35)23-25-44-36/h3-4,11-16,19-22,31-36,41H,1-2,5-10,17-18,23-28H2,(H,39,42)/t31-,32-,33+,34?,35-,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9253 (acyclic urethane 28 | dec-9-en-1-yl N-[(2R,3S)-3-(...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C(C)CC=C)C(=O)OCCCCCCCCC=C |r| Show InChI InChI=1S/C33H50N2O7/c1-4-6-7-8-9-10-11-15-20-40-33(38)35(25(3)16-5-2)23-29(36)28(22-26-17-13-12-14-18-26)34-32(37)42-30-24-41-31-27(30)19-21-39-31/h4-5,12-14,17-18,25,27-31,36H,1-2,6-11,15-16,19-24H2,3H3,(H,34,37)/t25?,27-,28-,29+,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9238 (acyclic urethane 13 | dec-9-en-1-yl N-[(2R,3S)-3-(...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)C(=O)OCCCCCCCCC=C |r| Show InChI InChI=1S/C31H46N2O7/c1-3-5-6-7-8-9-10-14-19-38-31(36)33(18-4-2)22-27(34)26(21-24-15-12-11-13-16-24)32-30(35)40-28-23-39-29-25(28)17-20-37-29/h3-4,11-13,15-16,25-29,34H,1-2,5-10,14,17-23H2,(H,32,35)/t25-,26-,27+,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1)	BDBM9241 (acyclic urethane 22 | but-3-en-1-yl N-[(2R,3S)-3-(...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCCCCCC=C)C(=O)OCCC=C |r| Show InChI InChI=1S/C32H48N2O7/c1-3-5-7-8-9-10-11-15-19-34(32(37)39-20-6-4-2)23-28(35)27(22-25-16-13-12-14-17-25)33-31(36)41-29-24-40-30-26(29)18-21-38-30/h3-4,12-14,16-17,26-30,35H,1-2,5-11,15,18-24H2,(H,33,36)/t26-,27-,28+,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	>-34.2	n/a	n/a	n/a	n/a	n/a	6.4	25
University of Illinois at Chicago					Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...				Bioorg Med Chem Lett 12: 1993-6 (2002) Article DOI: 10.1016/s0960-894x(02)00300-1 BindingDB Entry DOI: 10.7270/Q2SJ1HS5
					More data for this Ligand-Target Pair