Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'norbeck' and Initial = 'dw'   

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)	BDBM50099843 ((S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino...) Show SMILES CC(C)[C@H](N1CCC(O)NC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 Show InChI InChI=1S/C37H48N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-32,34,42-43H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/t29-,30-,31-,32?,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 11: 1351-3 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BX6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM578 ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 11: 1351-3 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BX6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50099842 ((S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino...) Show SMILES CC(C)[C@H](N1CCC(=O)NC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 Show InChI InChI=1S/C37H46N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-31,34,42H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,43,46)/t29-,30-,31-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				Bioorg Med Chem Lett 11: 1351-3 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BX6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM200 ((2S)-N-[(2S,3R,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C44H58N8O5/c1-30(2)39(49-43(56)51(5)28-34-21-13-15-23-45-34)41(54)47-36(25-32-17-9-7-10-18-32)27-38(53)37(26-33-19-11-8-12-20-33)48-42(55)40(31(3)4)50-44(57)52(6)29-35-22-14-16-24-46-35/h7-24,30-31,36-40,53H,25-29H2,1-6H3,(H,47,54)(H,48,55)(H,49,56)(H,50,57)/t36-,37-,38+,39-,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.00400	-66.1	n/a	n/a	n/a	n/a	n/a	4.7	30
NCI-FCRDC					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Am Chem Soc 116: 847-55 (1994) Article DOI: 10.1021/ja00082a004 BindingDB Entry DOI: 10.7270/Q2KK98Z1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM194 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(O)c(OC)c3)C2=O)ccc1O |r| Show InChI InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00500	-65.6	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM198 ((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r| Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article	0.0110	-63.6	n/a	n/a	n/a	n/a	n/a	4.7	30
NCI-FCRDC					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Am Chem Soc 116: 847-55 (1994) Article DOI: 10.1021/ja00082a004 BindingDB Entry DOI: 10.7270/Q2KK98Z1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM199 ((2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r| Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.0120	-63.4	n/a	n/a	n/a	n/a	n/a	4.7	30
NCI-FCRDC					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Am Chem Soc 116: 847-55 (1994) Article DOI: 10.1021/ja00082a004 BindingDB Entry DOI: 10.7270/Q2KK98Z1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of ritonavir towards HIV protease was determined				Bioorg Med Chem Lett 7: 699-704 (1997) Article DOI: 10.1016/S0960-894X(97)00080-2 BindingDB Entry DOI: 10.7270/Q23N23C1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM195 ((5R,6R)-1,5-dibenzyl-2-(cyclopropylmethyl)-6-hydro...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(CC3CC3)C2=O)ccc1O |r| Show InChI InChI=1S/C30H35N3O4/c1-37-29-17-25(14-15-27(29)34)19-32-26(16-22-8-4-2-5-9-22)28(35)21-31(18-23-10-6-3-7-11-23)33(30(32)36)20-24-12-13-24/h2-11,14-15,17,24,26,28,34-35H,12-13,16,18-21H2,1H3/t26-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0620	-59.2	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM192 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxyp...) Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-28-15-11-26(12-16-28)21-34-30(19-24-7-3-1-4-8-24)31(38)23-33(20-25-9-5-2-6-10-25)35(32(34)39)22-27-13-17-29(37)18-14-27/h1-18,30-31,36-38H,19-23H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	-58.9	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM197 ((2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S)-3-meth...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r| Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	0.112	-57.7	n/a	n/a	n/a	n/a	n/a	4.7	30
NCI-FCRDC					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Am Chem Soc 116: 847-55 (1994) Article DOI: 10.1021/ja00082a004 BindingDB Entry DOI: 10.7270/Q2KK98Z1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM189 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis({[4-(hydrox...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C34H37N3O4/c38-24-30-15-11-28(12-16-30)21-36-32(19-26-7-3-1-4-8-26)33(40)23-35(20-27-9-5-2-6-10-27)37(34(36)41)22-29-13-17-31(25-39)18-14-29/h1-18,32-33,38-40H,19-25H2/t32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-56.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM193 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(3-methoxyp...) Show SMILES COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3cccc(OC)c3)C2=O)c1 |r| Show InChI InChI=1S/C34H37N3O4/c1-40-30-17-9-15-28(19-30)23-36-32(21-26-11-5-3-6-12-26)33(38)25-35(22-27-13-7-4-8-14-27)37(34(36)39)24-29-16-10-18-31(20-29)41-2/h3-20,32-33,38H,21-25H2,1-2H3/t32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-56.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM190 ((5R,6R)-2,4-Bis[4-(hydroxymethyl)benzyl]-1-(3-fura...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccoc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C32H35N3O5/c36-21-27-10-6-25(7-11-27)18-34-30(16-24-4-2-1-3-5-24)31(38)20-33(17-29-14-15-40-23-29)35(32(34)39)19-26-8-12-28(22-37)13-9-26/h1-15,23,30-31,36-38H,16-22H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.490	-54.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM191 ((5R,6R)-1,2,4,5-tetrabenzyl-6-hydroxy-1,2,4-triaze...) Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C32H33N3O2/c36-31-25-33(22-27-15-7-2-8-16-27)35(24-29-19-11-4-12-20-29)32(37)34(23-28-17-9-3-10-18-28)30(31)21-26-13-5-1-6-14-26/h1-20,30-31,36H,21-25H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-50.5	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM196 (A-74704 | CHEMBL307193 | benzyl N-[(1S)-1-{[(2S,4S...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.5	-48.4	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				Science 249: 527-33 (1990) Article DOI: 10.1126/science.2200122 BindingDB Entry DOI: 10.7270/Q2QC01NV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014145 (CHEMBL314298 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 protease.				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014144 (CHEMBL83462 | {(S)-1-[(1S,2R,3R,4S)-1-Benzyl-4-((R...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014149 (CHEMBL314758 | {1-[1-Benzyl-4-(2-benzyloxycarbonyl...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38+,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 protease.				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50063071 (((1S,2S,4S)-1-Benzyl-2-hydroxy-4-{3-[3-(2-isopropy...) Show SMILES CC(C)c1nc(CN(C)C(=O)NCCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 Show InChI InChI=1S/C35H44N6O5S2/c1-24(2)33-39-28(22-47-33)20-41(3)34(44)37-15-14-32(43)38-27(16-25-10-6-4-7-11-25)18-31(42)30(17-26-12-8-5-9-13-26)40-35(45)46-21-29-19-36-23-48-29/h4-13,19,22-24,27,30-31,42H,14-18,20-21H2,1-3H3,(H,37,44)(H,38,43)(H,40,45)/t27-,30-,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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174973 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CCc2ccncc2)ccc1O Show InChI InChI=1S/C35H38N4O7/c1-45-32-19-26(8-11-29(32)40)21-37-28(18-25-6-4-3-5-7-25)31(42)23-38(34(43)13-10-24-14-16-36-17-15-24)39(35(37)44)22-27-9-12-30(41)33(20-27)46-2/h3-9,11-12,14-17,19-20,28,31,40-42H,10,13,18,21-23H2,1-2H3/t28-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062997 (((1S,2S,4S)-1-Benzyl-2-hydroxy-4-{2-[3-(2-isopropy...) Show SMILES CCCN(Cc1csc(n1)C(C)C)C(=O)NCC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 Show InChI InChI=1S/C36H46N6O5S2/c1-4-15-42(21-29-23-48-34(40-29)25(2)3)35(45)38-20-33(44)39-28(16-26-11-7-5-8-12-26)18-32(43)31(17-27-13-9-6-10-14-27)41-36(46)47-22-30-19-37-24-49-30/h5-14,19,23-25,28,31-32,43H,4,15-18,20-22H2,1-3H3,(H,38,45)(H,39,44)(H,41,46)/t28-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062946 (((1S,3S,4S)-1-Benzyl-3-hydroxy-4-{3-[3-(2-isopropy...) Show SMILES CC(C)c1nc(CN(C)C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)cs1 Show InChI InChI=1S/C35H44N6O5S2/c1-24(2)33-38-28(22-47-33)20-41(3)34(44)37-15-14-32(43)40-30(17-26-12-8-5-9-13-26)31(42)18-27(16-25-10-6-4-7-11-25)39-35(45)46-21-29-19-36-23-48-29/h4-13,19,22-24,27,30-31,42H,14-18,20-21H2,1-3H3,(H,37,44)(H,39,45)(H,40,43)/t27-,30-,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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285916 (CHEMBL90751 | [(1S,2S,4S)-1-Benzyl-4-(2-chloro-4-h...) Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1Cl)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C33H33ClN2O5/c34-29-21-27(37)16-17-28(29)32(39)35-26(18-23-10-4-1-5-11-23)20-31(38)30(19-24-12-6-2-7-13-24)36-33(40)41-22-25-14-8-3-9-15-25/h1-17,21,26,30-31,37-38H,18-20,22H2,(H,35,39)(H,36,40)/t26-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285903 (CHEMBL93589 | [(1S,3S,4S)-1-Benzyl-4-(2-chloro-4-h...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H35ClN2O5/c1-30(2,3)38-29(37)32-22(16-20-10-6-4-7-11-20)18-27(35)26(17-21-12-8-5-9-13-21)33-28(36)24-15-14-23(34)19-25(24)31/h4-15,19,22,26-27,34-35H,16-18H2,1-3H3,(H,32,37)(H,33,36)/t22-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062994 (((1S,3S,4S)-1-Benzyl-3-hydroxy-4-{2-[3-(2-isopropy...) Show SMILES CC(C)C(NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cnc(s1)C(C)C Show InChI InChI=1S/C40H54N6O5S2/c1-25(2)35(45-39(49)46(7)22-31-24-52-38(42-31)27(5)6)36(48)44-33(19-29-16-12-9-13-17-29)34(47)20-30(18-28-14-10-8-11-15-28)43-40(50)51-23-32-21-41-37(53-32)26(3)4/h8-17,21,24-27,30,33-35,47H,18-20,22-23H2,1-7H3,(H,43,50)(H,44,48)(H,45,49)/t30-,33-,34-,35?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285910 (CHEMBL93718 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3-...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N2O5/c1-21-25(16-11-17-27(21)34)29(36)33-26(19-23-14-9-6-10-15-23)28(35)20-24(18-22-12-7-5-8-13-22)32-30(37)38-31(2,3)4/h5-17,24,26,28,34-35H,18-20H2,1-4H3,(H,32,37)(H,33,36)/t24-,26-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062954 (((1S,2S,4S)-1-Benzyl-2-hydroxy-4-{2-[3-isobutyl-3-...) Show SMILES CC(C)CN(Cc1csc(n1)C(C)C)C(=O)NCC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 Show InChI InChI=1S/C37H48N6O5S2/c1-25(2)20-43(21-30-23-49-35(41-30)26(3)4)36(46)39-19-34(45)40-29(15-27-11-7-5-8-12-27)17-33(44)32(16-28-13-9-6-10-14-28)42-37(47)48-22-31-18-38-24-50-31/h5-14,18,23-26,29,32-33,44H,15-17,19-22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t29-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062941 (((1S,3S,4S)-1-Benzyl-4-{2-[3-cyclopropyl-3-(2-isop...) Show SMILES CC(C)C(NC(=O)N(Cc1csc(n1)C(C)C)C1CC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 Show InChI InChI=1S/C39H50N6O5S2/c1-25(2)35(44-38(48)45(31-15-16-31)21-30-23-51-37(41-30)26(3)4)36(47)43-33(18-28-13-9-6-10-14-28)34(46)19-29(17-27-11-7-5-8-12-27)42-39(49)50-22-32-20-40-24-52-32/h5-14,20,23-26,29,31,33-35,46H,15-19,21-22H2,1-4H3,(H,42,49)(H,43,47)(H,44,48)/t29-,33-,34-,35?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062969 (CHEMBL346943 | {(1S,3S,4S)-1-Benzyl-3-hydroxy-4-[2...) Show SMILES CC(C)C(NC(=O)OCc1nc(cs1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 Show InChI InChI=1S/C36H45N5O6S2/c1-23(2)30-21-48-32(39-30)20-47-36(45)41-33(24(3)4)34(43)40-29(16-26-13-9-6-10-14-26)31(42)17-27(15-25-11-7-5-8-12-25)38-35(44)46-19-28-18-37-22-49-28/h5-14,18,21-24,27,29,31,33,42H,15-17,19-20H2,1-4H3,(H,38,44)(H,40,43)(H,41,45)/t27-,29-,31-,33?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174993 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CCCCN2CCOCC2)ccc1O Show InChI InChI=1S/C36H46N4O8/c1-46-33-21-27(11-13-30(33)41)23-38-29(20-26-8-4-3-5-9-26)32(43)25-39(35(44)10-6-7-15-37-16-18-48-19-17-37)40(36(38)45)24-28-12-14-31(42)34(22-28)47-2/h3-5,8-9,11-14,21-22,29,32,41-43H,6-7,10,15-20,23-25H2,1-2H3/t29-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062939 (CHEMBL347824 | [(1S,2S,4S)-1-Benzyl-4-(2-{3-ethyl-...) Show SMILES CCN(CCc1csc(n1)C(C)C)C(=O)NC(C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 Show InChI InChI=1S/C37H48N6O5S2/c1-5-43(17-16-29-23-49-35(41-29)25(2)3)36(46)39-26(4)34(45)40-30(18-27-12-8-6-9-13-27)20-33(44)32(19-28-14-10-7-11-15-28)42-37(47)48-22-31-21-38-24-50-31/h6-15,21,23-26,30,32-33,44H,5,16-20,22H2,1-4H3,(H,39,46)(H,40,45)(H,42,47)/t26?,30-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285911 (CHEMBL90090 | [(1S,3S,4S)-4-(3-Amino-2-methyl-benz...) Show SMILES Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H39N3O4/c1-21-25(16-11-17-26(21)32)29(36)34-27(19-23-14-9-6-10-15-23)28(35)20-24(18-22-12-7-5-8-13-22)33-30(37)38-31(2,3)4/h5-17,24,27-28,35H,18-20,32H2,1-4H3,(H,33,37)(H,34,36)/t24-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014147 (A-74704 | CHEMBL430891 | {(S)-1-[(1S,3S)-1-Benzyl-...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C43H52N4O7/c1-29(2)37(46-42(51)53-27-33-21-13-7-14-22-33)40(49)44-35(25-31-17-9-5-10-18-31)39(48)36(26-32-19-11-6-12-20-32)45-41(50)38(30(3)4)47-43(52)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,48H,25-28H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t35-,36-,37-,38+,39+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285890 (CHEMBL93566 | [(1S,3S,4S)-4-(5-Amino-2-chloro-benz...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N)ccc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H36ClN3O4/c1-30(2,3)38-29(37)33-23(16-20-10-6-4-7-11-20)19-27(35)26(17-21-12-8-5-9-13-21)34-28(36)24-18-22(32)14-15-25(24)31/h4-15,18,23,26-27,35H,16-17,19,32H2,1-3H3,(H,33,37)(H,34,36)/t23-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285913 (CHEMBL327611 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(4...) Show SMILES COc1cc(ccc1O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H38N2O6/c1-31(2,3)39-30(37)32-24(17-21-11-7-5-8-12-21)20-27(35)25(18-22-13-9-6-10-14-22)33-29(36)23-15-16-26(34)28(19-23)38-4/h5-16,19,24-25,27,34-35H,17-18,20H2,1-4H3,(H,32,37)(H,33,36)/t24-,25-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285905 (CHEMBL93540 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(4-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O5/c1-30(2,3)37-29(36)31-24(18-21-10-6-4-7-11-21)20-27(34)26(19-22-12-8-5-9-13-22)32-28(35)23-14-16-25(33)17-15-23/h4-17,24,26-27,33-34H,18-20H2,1-3H3,(H,31,36)(H,32,35)/t24-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285897 (CHEMBL273562 | [(1S,3S,4S)-1-Benzyl-3-hydroxy-4-(3...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O5/c1-30(2,3)37-29(36)31-24(17-21-11-6-4-7-12-21)20-27(34)26(18-22-13-8-5-9-14-22)32-28(35)23-15-10-16-25(33)19-23/h4-16,19,24,26-27,33-34H,17-18,20H2,1-3H3,(H,31,36)(H,32,35)/t24-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285900 (CHEMBL93481 | [(1S,3S,4S)-4-(4-Amino-2-chloro-benz...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N)cc1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H36ClN3O4/c1-30(2,3)38-29(37)33-23(16-20-10-6-4-7-11-20)19-27(35)26(17-21-12-8-5-9-13-21)34-28(36)24-15-14-22(32)18-25(24)31/h4-15,18,23,26-27,35H,16-17,19,32H2,1-3H3,(H,33,37)(H,34,36)/t23-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174986 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CCCN2CCOCC2)ccc1O Show InChI InChI=1S/C35H44N4O8/c1-45-32-20-26(10-12-29(32)40)22-37-28(19-25-7-4-3-5-8-25)31(42)24-38(34(43)9-6-14-36-15-17-47-18-16-36)39(35(37)44)23-27-11-13-30(41)33(21-27)46-2/h3-5,7-8,10-13,20-21,28,31,40-42H,6,9,14-19,22-24H2,1-2H3/t28-,31-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50062925 (CHEMBL157673 | [(1S,2S,4S)-1-Benzyl-2-hydroxy-4-(2...) Show SMILES CCCN(CCc1csc(n1)C(C)C)C(=O)NC(C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 Show InChI InChI=1S/C38H50N6O5S2/c1-5-17-44(18-16-30-24-50-36(42-30)26(2)3)37(47)40-27(4)35(46)41-31(19-28-12-8-6-9-13-28)21-34(45)33(20-29-14-10-7-11-15-29)43-38(48)49-23-32-22-39-25-51-32/h6-15,22,24-27,31,33-34,45H,5,16-21,23H2,1-4H3,(H,40,47)(H,41,46)(H,43,48)/t27?,31-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description Inhibitory concentration against purified recombinant HIV-1 protease using fluorogenic substrate				J Med Chem 41: 602-17 (1998) Article DOI: 10.1021/jm970636+ BindingDB Entry DOI: 10.7270/Q2N58KGK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285906 (CHEMBL328531 | [(1S,3S,4S)-1-Benzyl-4-(3,4-dihydro...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O6/c1-30(2,3)38-29(37)31-23(16-20-10-6-4-7-11-20)19-26(34)24(17-21-12-8-5-9-13-21)32-28(36)22-14-15-25(33)27(35)18-22/h4-15,18,23-24,26,33-35H,16-17,19H2,1-3H3,(H,31,37)(H,32,36)/t23-,24-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285899 (((1S,3S,4S)-4-Benzoylamino-1-benzyl-3-hydroxy-5-ph...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C30H36N2O4/c1-30(2,3)36-29(35)31-25(19-22-13-7-4-8-14-22)21-27(33)26(20-23-15-9-5-10-16-23)32-28(34)24-17-11-6-12-18-24/h4-18,25-27,33H,19-21H2,1-3H3,(H,31,35)(H,32,34)/t25-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014146 (CHEMBL90174 | {1-[1-Benzyl-3-(2-benzyloxycarbonyla...) Show SMILES CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)CC Show InChI InChI=1S/C45H56N4O7/c1-5-31(3)39(48-44(53)55-29-35-23-15-9-16-24-35)42(51)46-37(27-33-19-11-7-12-20-33)41(50)38(28-34-21-13-8-14-22-34)47-43(52)40(32(4)6-2)49-45(54)56-30-36-25-17-10-18-26-36/h7-26,31-32,37-41,50H,5-6,27-30H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t31-,32-,37-,38-,39-,40+,41?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against recombinant HIV-1 Protease				J Med Chem 33: 2687-9 (1990) BindingDB Entry DOI: 10.7270/Q2W37V89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285889 (((1S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino-3-...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 Show InChI InChI=1S/C28H40N2O5/c1-27(2,3)34-25(32)29-22(17-20-13-9-7-10-14-20)19-24(31)23(18-21-15-11-8-12-16-21)30-26(33)35-28(4,5)6/h7-16,22-24,31H,17-19H2,1-6H3,(H,29,32)(H,30,33)/t22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285907 (CHEMBL93323 | [(1S,3S,4S)-4-(3-Amino-2-chloro-benz...) Show SMILES CC(C)(C)OC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N)c1Cl)Cc1ccccc1 Show InChI InChI=1S/C30H36ClN3O4/c1-30(2,3)38-29(37)33-22(17-20-11-6-4-7-12-20)19-26(35)25(18-21-13-8-5-9-14-21)34-28(36)23-15-10-16-24(32)27(23)31/h4-16,22,25-26,35H,17-19,32H2,1-3H3,(H,33,37)(H,34,36)/t22-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285892 (((1S,3S,4S)-1-Benzyl-4-benzyloxycarbonylamino-3-hy...) Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C34H36N2O5/c37-32(31(22-27-15-7-2-8-16-27)36-34(39)41-25-29-19-11-4-12-20-29)23-30(21-26-13-5-1-6-14-26)35-33(38)40-24-28-17-9-3-10-18-28/h1-20,30-32,37H,21-25H2,(H,35,38)(H,36,39)/t30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50174969 ((5R,6R)-2,4-bis(4-hydroxy-3-methoxybenzyl)-5-benzy...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(N(Cc3ccc(O)c(OC)c3)C2=O)C(=O)CN2CCNCC2)ccc1O Show InChI InChI=1S/C33H41N5O7/c1-44-30-17-24(8-10-27(30)39)19-36-26(16-23-6-4-3-5-7-23)29(41)21-37(32(42)22-35-14-12-34-13-15-35)38(33(36)43)20-25-9-11-28(40)31(18-25)45-2/h3-11,17-18,26,29,34,39-41H,12-16,19-22H2,1-2H3/t26-,29-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against HIV1 protease				Bioorg Med Chem Lett 15: 5499-503 (2005) Article DOI: 10.1016/j.bmcl.2005.08.093 BindingDB Entry DOI: 10.7270/Q2ZP45PR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50285915 (CHEMBL91657 | [(1S,2S,4S)-4-(4-Amino-2-chloro-benz...) Show SMILES Nc1ccc(C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)Cc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C33H34ClN3O4/c34-29-20-26(35)16-17-28(29)32(39)36-27(18-23-10-4-1-5-11-23)21-31(38)30(19-24-12-6-2-7-13-24)37-33(40)41-22-25-14-8-3-9-15-25/h1-17,20,27,30-31,38H,18-19,21-22,35H2,(H,36,39)(H,37,40)/t27-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against purified HIV protease				Bioorg Med Chem Lett 5: 2725-2728 (1995) Article DOI: 10.1016/0960-894X(95)00462-3 BindingDB Entry DOI: 10.7270/Q26973JN
					More data for this Ligand-Target Pair

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