Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'nair' and Initial = 'ac'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50404011 (CHEMBL36900) Show SMILES ONC(=N)c1cccc(CN2[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 Show InChI InChI=1S/C35H34F4N6O4/c36-26-10-7-20(15-28(26)38)9-12-30-32(46)31(17-21-8-11-27(37)29(39)16-21)45(19-23-4-2-6-25(14-23)34(41)43-49)35(47)44(30)18-22-3-1-5-24(13-22)33(40)42-48/h1-8,10-11,13-16,30-32,46,48-49H,9,12,17-19H2,(H2,40,42)(H2,41,43)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50065089 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)-...) Show SMILES ONC(=N)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 Show InChI InChI=1S/C35H38N6O4/c36-33(38-44)28-15-7-13-26(19-28)22-40-30(18-17-24-9-3-1-4-10-24)32(42)31(21-25-11-5-2-6-12-25)41(35(40)43)23-27-14-8-16-29(20-27)34(37)39-45/h1-16,19-20,30-32,42,44-45H,17-18,21-23H2,(H2,36,38)(H2,37,39)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50404007 (CHEMBL116517) Show SMILES ONC(=N)c1cccc(CN2[C@H](CCc3ccc(F)cc3)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 Show InChI InChI=1S/C35H36F2N6O4/c36-28-12-7-22(8-13-28)11-16-30-32(44)31(19-23-9-14-29(37)15-10-23)43(21-25-4-2-6-27(18-25)34(39)41-47)35(45)42(30)20-24-3-1-5-26(17-24)33(38)40-46/h1-10,12-15,17-18,30-32,44,46-47H,11,16,19-21H2,(H2,38,40)(H2,39,41)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473991 (CHEMBL416783) Show SMILES N\C(=N/O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 Show InChI InChI=1S/C34H37N5O3/c35-29-16-8-14-27(20-29)23-39-31(21-25-11-5-2-6-12-25)32(40)30(18-17-24-9-3-1-4-10-24)38(34(39)41)22-26-13-7-15-28(19-26)33(36)37-42/h1-16,19-20,30-32,40,42H,17-18,21-23,35H2,(H2,36,37)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM164 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis(1H-indazol-5...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C35H34N6O2/c42-34-32(16-13-24-7-3-1-4-8-24)40(22-26-11-14-30-28(17-26)20-36-38-30)35(43)41(33(34)19-25-9-5-2-6-10-25)23-27-12-15-31-29(18-27)21-37-39-31/h1-12,14-15,17-18,20-21,32-34,42H,13,16,19,22-23H2,(H,36,38)(H,37,39)/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473996 (CHEMBL291004) Show SMILES Nc1[nH]nc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5n[nH]c(N)c5c4)C3=O)cc12 Show InChI InChI=1S/C35H36N8O2/c36-33-26-17-24(11-14-28(26)38-40-33)20-42-30(16-13-22-7-3-1-4-8-22)32(44)31(19-23-9-5-2-6-10-23)43(35(42)45)21-25-12-15-29-27(18-25)34(37)41-39-29/h1-12,14-15,17-18,30-32,44H,13,16,19-21H2,(H3,36,38,40)(H3,37,39,41)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50404010 (CHEMBL324293) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(NC(=O)c3nccs3)c2)C(=O)N(Cc2cccc(NC(=O)c3nccs3)c2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C41H38N6O4S2/c48-36-34(18-17-28-9-3-1-4-10-28)46(26-30-13-7-15-32(23-30)44-37(49)39-42-19-21-52-39)41(51)47(35(36)25-29-11-5-2-6-12-29)27-31-14-8-16-33(24-31)45-38(50)40-43-20-22-53-40/h1-16,19-24,34-36,48H,17-18,25-27H2,(H,44,49)(H,45,50)/t34-,35-,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1149 ((4R,5R,6R)-Tetrahydro-1-(3-aminophenyl-methyl)-3-[...) Show SMILES NC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 |r| Show InChI InChI=1S/C34H36N4O3/c35-29-16-8-14-27(20-29)23-38-31(21-25-11-5-2-6-12-25)32(39)30(18-17-24-9-3-1-4-10-24)37(34(38)41)22-26-13-7-15-28(19-26)33(36)40/h1-16,19-20,30-32,39H,17-18,21-23,35H2,(H2,36,40)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50404006 (CHEMBL366576) Show SMILES ONC(=N)c1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(c3)C(=N)NO)C2=O)ccc1F Show InChI InChI=1S/C35H36F2N6O4/c36-28-14-11-24(17-26(28)33(38)40-46)20-42-30(16-13-22-7-3-1-4-8-22)32(44)31(19-23-9-5-2-6-10-23)43(35(42)45)21-25-12-15-29(37)27(18-25)34(39)41-47/h1-12,14-15,17-18,30-32,44,46-47H,13,16,19-21H2,(H2,38,40)(H2,39,41)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473992 (CHEMBL416612) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3c[nH]nc3c2)C(=O)N(Cc2ccc3c[nH]nc3c2)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C35H34N6O2/c42-34-32(16-13-24-7-3-1-4-8-24)40(22-26-11-14-28-20-36-38-30(28)17-26)35(43)41(33(34)19-25-9-5-2-6-10-25)23-27-12-15-29-21-37-39-31(29)18-27/h1-12,14-15,17-18,20-21,32-34,42H,13,16,19,22-23H2,(H,36,38)(H,37,39)/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0603	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1144 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-4-benzyl-5-hy...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r| Show InChI InChI=1S/C34H35N5O2/c35-29-13-7-12-26(19-29)22-38-31(17-15-24-8-3-1-4-9-24)33(40)32(20-25-10-5-2-6-11-25)39(34(38)41)23-27-14-16-30-28(18-27)21-36-37-30/h1-14,16,18-19,21,31-33,40H,15,17,20,22-23,35H2,(H,36,37)/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50404005 (CHEMBL113884) Show SMILES Cc1ccc(nc1)C(=O)Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(NC(=O)c4ccc(C)cn4)c3)C2=O)c1 Show InChI InChI=1S/C47H46N6O4/c1-32-19-22-40(48-28-32)45(55)50-38-17-9-15-36(25-38)30-52-42(24-21-34-11-5-3-6-12-34)44(54)43(27-35-13-7-4-8-14-35)53(47(52)57)31-37-16-10-18-39(26-37)51-46(56)41-23-20-33(2)29-49-41/h3-20,22-23,25-26,28-29,42-44,54H,21,24,27,30-31H2,1-2H3,(H,50,55)(H,51,56)/t42-,43-,44-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1080 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamido)methyl]...) Show SMILES NC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r| Show InChI InChI=1S/C35H36N4O4/c36-33(41)28-15-7-13-26(19-28)22-38-30(18-17-24-9-3-1-4-10-24)32(40)31(21-25-11-5-2-6-12-25)39(35(38)43)23-27-14-8-16-29(20-27)34(37)42/h1-16,19-20,30-32,40H,17-18,21-23H2,(H2,36,41)(H2,37,42)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0891	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1145 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hy...) Show SMILES Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r| Show InChI InChI=1S/C34H35N5O2/c35-29-13-7-12-26(19-29)22-39-32(20-25-10-5-2-6-11-25)33(40)31(17-15-24-8-3-1-4-9-24)38(34(39)41)23-27-14-16-30-28(18-27)21-36-37-30/h1-14,16,18-19,21,31-33,40H,15,17,20,22-23,35H2,(H,36,37)/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1148 ((4R,5R,6R)-1-[(3-amino-1H-indazol-5-yl)methyl]-3-[...) Show SMILES Nc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r| Show InChI InChI=1S/C34H36N6O2/c35-27-13-7-12-25(18-27)21-40-31(20-24-10-5-2-6-11-24)32(41)30(17-15-23-8-3-1-4-9-23)39(34(40)42)22-26-14-16-29-28(19-26)33(36)38-37-29/h1-14,16,18-19,30-32,41H,15,17,20-22,35H2,(H3,36,37,38)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1109 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis[(3-methyl-1H...) Show SMILES Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(C)c5c4)C3=O)cc12 |r| Show InChI InChI=1S/C37H38N6O2/c1-24-30-19-28(13-16-32(30)40-38-24)22-42-34(18-15-26-9-5-3-6-10-26)36(44)35(21-27-11-7-4-8-12-27)43(37(42)45)23-29-14-17-33-31(20-29)25(2)39-41-33/h3-14,16-17,19-20,34-36,44H,15,18,21-23H2,1-2H3,(H,38,40)(H,39,41)/t34-,35-,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1107 ((4R,5R,6R)-4-benzyl-5-hydroxy-6-(2-phenylethyl)-1,...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C39H38N6O2/c46-38-36(18-17-28-9-3-1-4-10-28)44(26-30-13-7-15-32(23-30)34-19-21-40-42-34)39(47)45(37(38)25-29-11-5-2-6-12-29)27-31-14-8-16-33(24-31)35-20-22-41-43-35/h1-16,19-24,36-38,46H,17-18,25-27H2,(H,40,42)(H,41,43)/t36-,37-,38-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1146 ((4R,5R,6R)-1-[(3-aminophenyl)methyl]-6-benzyl-5-hy...) Show SMILES Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H37N5O2/c1-24-30-20-28(15-17-31(30)38-37-24)23-39-32(18-16-25-9-4-2-5-10-25)34(41)33(21-26-11-6-3-7-12-26)40(35(39)42)22-27-13-8-14-29(36)19-27/h2-15,17,19-20,32-34,41H,16,18,21-23,36H2,1H3,(H,37,38)/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1102 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxamidophenyl...) Show SMILES NC(=O)c1cccc(CN2[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r| Show InChI InChI=1S/C35H32F4N4O4/c36-26-10-7-20(15-28(26)38)9-12-30-32(44)31(17-21-8-11-27(37)29(39)16-21)43(19-23-4-2-6-25(14-23)34(41)46)35(47)42(30)18-22-3-1-5-24(13-22)33(40)45/h1-8,10-11,13-16,30-32,44H,9,12,17-19H2,(H2,40,45)(H2,41,46)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.151	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473993 (CHEMBL286159) Show SMILES N\C(=N/O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)c1 Show InChI InChI=1S/C27H30N4O3/c28-26(30-34)22-13-7-12-21(16-22)18-31-24(17-20-10-5-2-6-11-20)25(32)23(29-27(31)33)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,32,34H,14-15,17-18H2,(H2,28,30)(H,29,33)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1090 ((4R,5R,6R)-1,3-bis[(3-amino-4-fluorophenyl)methyl]...) Show SMILES Nc1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(N)c3)C2=O)ccc1F |r| Show InChI InChI=1S/C33H34F2N4O2/c34-26-14-11-24(17-28(26)36)20-38-30(16-13-22-7-3-1-4-8-22)32(40)31(19-23-9-5-2-6-10-23)39(33(38)41)21-25-12-15-27(35)29(37)18-25/h1-12,14-15,17-18,30-32,40H,13,16,19-21,36-37H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473997 (CHEMBL36581) Show SMILES Nc1[nH]nc2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](CCc4ccccc4)N(Cc4ccccc4)C3=O)cc12 Show InChI InChI=1S/C34H35N5O2/c35-33-28-20-27(16-18-29(28)36-37-33)23-39-31(21-25-12-6-2-7-13-25)32(40)30(19-17-24-10-4-1-5-11-24)38(34(39)41)22-26-14-8-3-9-15-26/h1-16,18,20,30-32,40H,17,19,21-23H2,(H3,35,36,37)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1089 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis[(3-hydroxyph...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O4/c36-28-15-7-13-26(19-28)22-34-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)35(33(34)39)23-27-14-8-16-29(37)20-27/h1-16,19-20,30-32,36-38H,17-18,21-23H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1101 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-carboxamidophenyl...) Show SMILES NC(=O)c1cccc(CN2[C@H](CCc3ccc(F)cc3)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r| Show InChI InChI=1S/C35H34F2N4O4/c36-28-12-7-22(8-13-28)11-16-30-32(42)31(19-23-9-14-29(37)15-10-23)41(21-25-4-2-6-27(18-25)34(39)44)35(45)40(30)20-24-3-1-5-26(17-24)33(38)43/h1-10,12-15,17-18,30-32,42H,11,16,19-21H2,(H2,38,43)(H2,39,44)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473995 (CHEMBL36437) Show SMILES Nc1[nH]nc2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](CCc4ccccc4)NC3=O)cc12 Show InChI InChI=1S/C27H29N5O2/c28-26-21-15-20(12-13-22(21)30-31-26)17-32-24(16-19-9-5-2-6-10-19)25(33)23(29-27(32)34)14-11-18-7-3-1-4-8-18/h1-10,12-13,15,23-25,33H,11,14,16-17H2,(H,29,34)(H3,28,30,31)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1111 ((4R,5R,6R)-1,3-bis[(3-amino-1,2-benzoxazol-5-yl)me...) Show SMILES Nc1noc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5onc(N)c5c4)C3=O)cc12 |r| Show InChI InChI=1S/C35H34N6O4/c36-33-26-17-24(12-15-30(26)44-38-33)20-40-28(14-11-22-7-3-1-4-8-22)32(42)29(19-23-9-5-2-6-10-23)41(35(40)43)21-25-13-16-31-27(18-25)34(37)39-45-31/h1-10,12-13,15-18,28-29,32,42H,11,14,19-21H2,(H2,36,38)(H2,37,39)/t28-,29-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.407	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1079 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...) Show SMILES OCc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H38N2O4/c38-24-30-15-7-13-28(19-30)22-36-32(18-17-26-9-3-1-4-10-26)34(40)33(21-27-11-5-2-6-12-27)37(35(36)41)23-29-14-8-16-31(20-29)25-39/h1-16,19-20,32-34,38-40H,17-18,21-25H2/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473990 (CHEMBL431321) Show SMILES Nc1[nH]nc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccccc4)C3=O)cc12 Show InChI InChI=1S/C34H35N5O2/c35-33-28-20-27(16-18-29(28)36-37-33)23-38-30(19-17-24-10-4-1-5-11-24)32(40)31(21-25-12-6-2-7-13-25)39(34(38)41)22-26-14-8-3-9-15-26/h1-16,18,20,30-32,40H,17,19,21-23H2,(H3,35,36,37)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.646	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50404008 (CHEMBL286693) Show SMILES CC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(C)=O)C2=O)c1 Show InChI InChI=1S/C37H38N2O4/c1-26(40)32-17-9-15-30(21-32)24-38-34(20-19-28-11-5-3-6-12-28)36(42)35(23-29-13-7-4-8-14-29)39(37(38)43)25-31-16-10-18-33(22-31)27(2)41/h3-18,21-22,34-36,42H,19-20,23-25H2,1-2H3/t34-,35-,36-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.912	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1136 ((4R,5R,6R)-6-benzyl-5-hydroxy-1-(1H-indazol-5-ylme...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C27H28N4O2/c32-26-24(14-11-19-7-3-1-4-8-19)29-27(33)31(25(26)16-20-9-5-2-6-10-20)18-21-12-13-23-22(15-21)17-28-30-23/h1-10,12-13,15,17,24-26,32H,11,14,16,18H2,(H,28,30)(H,29,33)/t24-,25-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1093 ((4R,5R,6R)-Tetrahydro-1,3-bis[(4-fluoro-3-benzamid...) Show SMILES NC(=O)c1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(c3)C(N)=O)C2=O)ccc1F |r| Show InChI InChI=1S/C35H34F2N4O4/c36-28-14-11-24(17-26(28)33(38)43)20-40-30(16-13-22-7-3-1-4-8-22)32(42)31(19-23-9-5-2-6-10-23)41(35(40)45)21-25-12-15-29(37)27(18-25)34(39)44/h1-12,14-15,17-18,30-32,42H,13,16,19-21H2,(H2,38,43)(H2,39,44)/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50473994 (CHEMBL416964) Show SMILES N\C(=N/O)c1cc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)ccc1F Show InChI InChI=1S/C27H29FN4O3/c28-22-13-11-20(15-21(22)26(29)31-35)17-32-24(16-19-9-5-2-6-10-19)25(33)23(30-27(32)34)14-12-18-7-3-1-4-8-18/h1-11,13,15,23-25,33,35H,12,14,16-17H2,(H2,29,31)(H,30,34)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1147 ((4R,5R,6R)-Tetrahydro-1-(3-aminophenyl-methyl)-3-[...) Show SMILES Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(Cc3cccc(c3)C#N)C2=O)c1 |r| Show InChI InChI=1S/C34H34N4O2/c35-22-27-13-7-14-28(19-27)23-37-31(18-17-25-9-3-1-4-10-25)33(39)32(21-26-11-5-2-6-12-26)38(34(37)40)24-29-15-8-16-30(36)20-29/h1-16,19-20,31-33,39H,17-18,21,23-24,36H2/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1091 ((4R,5R,6R)-1,3-bis[(3-aminophenyl)methyl]-4-benzyl...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 |r| Show InChI InChI=1S/C33H36N4O2/c34-28-15-7-13-26(19-28)22-36-30(18-17-24-9-3-1-4-10-24)32(38)31(21-25-11-5-2-6-12-25)37(33(36)39)23-27-14-8-16-29(35)20-27/h1-16,19-20,30-32,38H,17-18,21-23,34-35H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1127 ((4R,5R,6R)-6-benzyl-5-hydroxy-1-[(3-hydroxyphenyl)...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c29-22-13-7-12-21(16-22)18-28-24(17-20-10-5-2-6-11-20)25(30)23(27-26(28)31)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,29-30H,14-15,17-18H2,(H,27,31)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1092 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[3-(methyla...) Show SMILES CNc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(NC)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H40N4O2/c1-36-30-17-9-15-28(21-30)24-38-32(20-19-26-11-5-3-6-12-26)34(40)33(23-27-13-7-4-8-14-27)39(35(38)41)25-29-16-10-18-31(22-29)37-2/h3-18,21-22,32-34,36-37,40H,19-20,23-25H2,1-2H3/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1129 ((4R,5R,6R)-Tetrahydro-1-(3-carboxamidophenylmethyl...) Show SMILES NC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)c1 |r| Show InChI InChI=1S/C27H29N3O3/c28-26(32)22-13-7-12-21(16-22)18-30-24(17-20-10-5-2-6-11-20)25(31)23(29-27(30)33)15-14-19-8-3-1-4-9-19/h1-13,16,23-25,31H,14-15,17-18H2,(H2,28,32)(H,29,33)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1138 ((4R,5R,6R)-Tetrahydro-3-(3-aminophenylmethyl)-6-ph...) Show SMILES Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)NC2=O)c1 |r| Show InChI InChI=1S/C26H29N3O2/c27-22-13-7-12-21(16-22)18-29-24(15-14-19-8-3-1-4-9-19)25(30)23(28-26(29)31)17-20-10-5-2-6-11-20/h1-13,16,23-25,30H,14-15,17-18,27H2,(H,28,31)/t23-,24-,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1094 ((4R,5R,6R)-1,3-bis[(4-amino-3-fluorophenyl)methyl]...) Show SMILES Nc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(N)c(F)c3)C2=O)cc1F |r| Show InChI InChI=1S/C33H34F2N4O2/c34-26-17-24(11-14-28(26)36)20-38-30(16-13-22-7-3-1-4-8-22)32(40)31(19-23-9-5-2-6-10-23)39(33(38)41)21-25-12-15-29(37)27(35)18-25/h1-12,14-15,17-18,30-32,40H,13,16,19-21,36-37H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1124 ((4R,5S,6S)-4-benzyl-6-(1-bromo-2-phenylethyl)-5-hy...) Show SMILES OCc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H]([C@@H](Br)Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H37BrN2O4/c36-31(19-25-9-3-1-4-10-25)33-34(41)32(20-26-11-5-2-6-12-26)37(21-27-13-7-15-29(17-27)23-39)35(42)38(33)22-28-14-8-16-30(18-28)24-40/h1-18,31-34,39-41H,19-24H2/t31-,32+,33+,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1076 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-cyanophenyl)methy...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C35H32N4O2/c36-22-28-13-7-15-30(19-28)24-38-32(18-17-26-9-3-1-4-10-26)34(40)33(21-27-11-5-2-6-12-27)39(35(38)41)25-31-16-8-14-29(20-31)23-37/h1-16,19-20,32-34,40H,17-18,21,24-25H2/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1114 ((4R,5S,6S)-4-benzyl-6-(1-fluoro-2-phenylethyl)-5-h...) Show SMILES O[C@H]1[C@@H](Cc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1[C@@H](F)Cc1ccccc1 |r| Show InChI InChI=1S/C33H33FN2O4/c34-29(19-23-9-3-1-4-10-23)31-32(39)30(20-24-11-5-2-6-12-24)35(21-25-13-7-15-27(37)17-25)33(40)36(31)22-26-14-8-16-28(38)18-26/h1-18,29-32,37-39H,19-22H2/t29-,30+,31+,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1098 ((4R,5R,6R)-Tetrahydro-1,3-bis[(3-cyanophenyl)methy...) Show SMILES O[C@@H]1[C@@H](CCc2ccc(F)cc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C35H30F2N4O2/c36-30-12-7-24(8-13-30)11-16-32-34(42)33(19-25-9-14-31(37)15-10-25)41(23-29-6-2-4-27(18-29)21-39)35(43)40(32)22-28-5-1-3-26(17-28)20-38/h1-10,12-15,17-18,32-34,42H,11,16,19,22-23H2/t32-,33-,34-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1130 ((4R,5R,6R)-Tetrahydro-1-(3-carboxamido-4-fluorophe...) Show SMILES NC(=O)c1cc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)ccc1F |r| Show InChI InChI=1S/C27H28FN3O3/c28-22-13-11-20(15-21(22)26(29)33)17-31-24(16-19-9-5-2-6-10-19)25(32)23(30-27(31)34)14-12-18-7-3-1-4-8-18/h1-11,13,15,23-25,32H,12,14,16-17H2,(H2,29,33)(H,30,34)/t23-,24-,25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1088 ((4R,5R,6R)-1,3,4-tribenzyl-5-hydroxy-6-(2-phenylet...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C33H34N2O2/c36-32-30(22-21-26-13-5-1-6-14-26)34(24-28-17-9-3-10-18-28)33(37)35(25-29-19-11-4-12-20-29)31(32)23-27-15-7-2-8-16-27/h1-20,30-32,36H,21-25H2/t30-,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1125 ((4R,5R,6R)-Tetrahydro-1-(3-cyanophenylmethyl)-6-ph...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C27H27N3O2/c28-18-22-12-7-13-23(16-22)19-30-25(17-21-10-5-2-6-11-21)26(31)24(29-27(30)32)15-14-20-8-3-1-4-9-20/h1-13,16,24-26,31H,14-15,17,19H2,(H,29,32)/t24-,25-,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1123 ((4R,5S,6S)-4-benzyl-6-(1-bromo-2-phenylethyl)-5-hy...) Show SMILES CNc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H]([C@@H](Br)Cc3ccccc3)N(Cc3cccc(NC)c3)C2=O)c1 |r| Show InChI InChI=1S/C35H39BrN4O2/c1-37-29-17-9-15-27(19-29)23-39-32(22-26-13-7-4-8-14-26)34(41)33(31(36)21-25-11-5-3-6-12-25)40(35(39)42)24-28-16-10-18-30(20-28)38-2/h3-20,31-34,37-38,41H,21-24H2,1-2H3/t31-,32+,33+,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1119 ((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis(naphthalen-2...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C41H38N2O2/c44-40-38(24-21-30-11-3-1-4-12-30)42(28-32-19-22-34-15-7-9-17-36(34)25-32)41(45)43(39(40)27-31-13-5-2-6-14-31)29-33-20-23-35-16-8-10-18-37(35)26-33/h1-20,22-23,25-26,38-40,44H,21,24,27-29H2/t38-,39-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1139 ((4R,5R,6R)-Tetrahydro-1,6-bis-(phenylmethyl)-3-(3-...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C34H32FN3O2/c35-30-18-16-28(20-29(30)22-36)24-37-31(19-17-25-10-4-1-5-11-25)33(39)32(21-26-12-6-2-7-13-26)38(34(37)40)23-27-14-8-3-9-15-27/h1-16,18,20,31-33,39H,17,19,21,23-24H2/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1140 ((4R,5R,6R)-Tetrahydro-3,6-bis-(phenylmethyl)-1-(3-...) Show SMILES O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccc(F)c(c2)C#N)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C34H32FN3O2/c35-30-18-16-28(20-29(30)22-36)24-38-32(21-26-12-6-2-7-13-26)33(39)31(19-17-25-10-4-1-5-11-25)37(34(38)40)23-27-14-8-3-9-15-27/h1-16,18,20,31-33,39H,17,19,21,23-24H2/t31-,32-,33-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 45: 973-83 (2002) Article DOI: 10.1021/jm010417v BindingDB Entry DOI: 10.7270/Q2JH3PX8
					More data for this Ligand-Target Pair

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