Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50001233   

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)	BDBM50014015 (2-{2-[2-(3-tert-Butoxycarbonylamino-2-hydroxy-4-ph...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC |r| Show InChI InChI=1S/C40H54N4O7/c1-7-27(2)35(37(47)42-33(38(48)50-6)25-30-21-15-10-16-22-30)44-36(46)32(24-29-19-13-9-14-20-29)41-26-34(45)31(23-28-17-11-8-12-18-28)43-39(49)51-40(3,4)5/h8-22,27,31-35,41,45H,7,23-26H2,1-6H3,(H,42,47)(H,43,49)(H,44,46)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50010497 (Acetyl-Ser-Leu-Asn-Phe-[S]-[CH(OH)CH2N]Pro-Ile-Val...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32-,33-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig trachea using [3H]LTD4				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014024 (2-(2-{[1-(2-{2-[2-(2-Acetylamino-3-hydroxy-propion...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C39H70N8O11/c1-11-23(8)33(38(56)45-32(22(6)7)39(57)58-10)46-37(55)29-13-12-14-47(29)18-30(50)25(15-20(2)3)42-35(53)27(17-31(40)51)44-34(52)26(16-21(4)5)43-36(54)28(19-48)41-24(9)49/h20-23,25-30,32-33,48,50H,11-19H2,1-10H3,(H2,40,51)(H,41,49)(H,42,53)(H,43,54)(H,44,52)(H,45,56)(H,46,55)/t23-,25-,26-,27-,28-,29-,30-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014020 (2-[2-(2-{3-[2-(2-Amino-propionylamino)-propionylam...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C |r| Show InChI InChI=1S/C29H48N6O7/c1-16(2)24(28(40)35-25(17(3)4)29(41)42-7)34-23(37)15-31-14-22(36)21(13-20-11-9-8-10-12-20)33-27(39)19(6)32-26(38)18(5)30/h8-12,16-19,21-22,24-25,31,36H,13-15,30H2,1-7H3,(H,32,38)(H,33,39)(H,34,37)(H,35,40)/t18-,19-,21-,22-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014019 (2-{2-[(1-{2-[2-(2-Acetylamino-4-methyl-pentanoylam...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C36H65N7O9/c1-11-22(8)31(35(50)41-30(21(6)7)36(51)52-10)42-34(49)27-13-12-14-43(27)18-28(45)24(15-19(2)3)39-33(48)26(17-29(37)46)40-32(47)25(16-20(4)5)38-23(9)44/h19-22,24-28,30-31,45H,11-18H2,1-10H3,(H2,37,46)(H,38,44)(H,39,48)(H,40,47)(H,41,50)(H,42,49)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50421882 (CHEMBL2311136) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C39H63N7O9/c1-9-24(6)34(38(53)44-33(23(4)5)39(54)55-8)45-37(52)30-16-13-17-46(30)21-31(48)27(19-26-14-11-10-12-15-26)42-36(51)29(20-32(40)49)43-35(50)28(18-22(2)3)41-25(7)47/h10-12,14-15,22-24,27-31,33-34,48H,9,13,16-21H2,1-8H3,(H2,40,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)/t24-,27+,28+,29+,30+,31-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014014 (2-{2-[3-(Acetyl-tert-butyl-amino)-4-cyclohexyl-2-h...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](O)[C@H](CC1CCCCC1)N(C(C)=O)C(C)(C)C)C(C)C)C(=O)NCc1ccccn1 |r| Show InChI InChI=1S/C33H57N5O4/c1-9-23(4)30(31(41)36-20-26-17-13-14-18-34-26)37-32(42)29(22(2)3)35-21-28(40)27(19-25-15-11-10-12-16-25)38(24(5)39)33(6,7)8/h13-14,17-18,22-23,25,27-30,35,40H,9-12,15-16,19-21H2,1-8H3,(H,36,41)(H,37,42)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014028 (2-{[1-(2-{2-[2-(2-Acetylamino-3-hydroxy-propionyla...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC |r| Show InChI InChI=1S/C37H59N7O10/c1-7-22(4)32(37(53)54-6)43-36(52)29-14-11-15-44(29)19-30(47)25(17-24-12-9-8-10-13-24)40-34(50)27(18-31(38)48)42-33(49)26(16-21(2)3)41-35(51)28(20-45)39-23(5)46/h8-10,12-13,21-22,25-30,32,45,47H,7,11,14-20H2,1-6H3,(H2,38,48)(H,39,46)(H,40,50)(H,41,51)(H,42,49)(H,43,52)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014023 (2-(2-{3-[2-(2-Acetylamino-3-hydroxy-butyrylamino)-...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C36H67N11O9/c1-7-10-13-23(44-34(55)29(20(4)9-3)47-35(56)30(21(5)48)43-22(6)49)27(50)19-42-25(14-11-8-2)32(53)46-26(16-17-28(37)51)33(54)45-24(31(38)52)15-12-18-41-36(39)40/h20-21,23-26,29-30,42,48H,7-19H2,1-6H3,(H2,37,51)(H2,38,52)(H,43,49)(H,44,55)(H,45,54)(H,46,53)(H,47,56)(H4,39,40,41)/t20-,21+,23-,24-,25-,26-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	780	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014026 (2-{[1-(2-{2-[2-(2-Acetylamino-3-hydroxy-propionyla...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC |r| Show InChI InChI=1S/C34H61N7O10/c1-9-20(6)29(34(50)51-8)40-33(49)26-11-10-12-41(26)16-27(44)22(13-18(2)3)37-31(47)24(15-28(35)45)39-30(46)23(14-19(4)5)38-32(48)25(17-42)36-21(7)43/h18-20,22-27,29,42,44H,9-17H2,1-8H3,(H2,35,45)(H,36,43)(H,37,47)(H,38,48)(H,39,46)(H,40,49)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000902 (CHEMBL52494) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C35H63N7O11/c1-11-20(8)30(34(51)42-29(19(6)7)35(52)53-10)41-28(47)15-26(45)22(12-17(2)3)38-32(49)24(14-27(36)46)40-31(48)23(13-18(4)5)39-33(50)25(16-43)37-21(9)44/h17-20,22-26,29-30,43,45H,11-16H2,1-10H3,(H2,36,46)(H,37,44)(H,38,49)(H,39,50)(H,40,48)(H,41,47)(H,42,51)/t20-,22-,23-,24-,25-,26-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000543 (CHEMBL417012) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C41H67N7O12/c1-11-24(6)34(38(56)48-33(23(4)5)39(57)59-10)47-32(52)20-30(50)26(18-25-15-13-12-14-16-25)43-36(54)28(19-31(42)51)45-35(53)27(17-22(2)3)44-37(55)29(21-49)46-40(58)60-41(7,8)9/h12-16,22-24,26-30,33-34,49-50H,11,17-21H2,1-10H3,(H2,42,51)(H,43,54)(H,44,55)(H,45,53)(H,46,58)(H,47,52)(H,48,56)/t24-,26-,27-,28-,29-,30-,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014018 (2-[(1-{2-[2-(2-Acetylamino-4-methyl-pentanoylamino...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)OC |r| Show InChI InChI=1S/C34H54N6O8/c1-7-21(4)30(34(47)48-6)39-33(46)27-14-11-15-40(27)19-28(42)24(17-23-12-9-8-10-13-23)37-32(45)26(18-29(35)43)38-31(44)25(16-20(2)3)36-22(5)41/h8-10,12-13,20-21,24-28,30,42H,7,11,14-19H2,1-6H3,(H2,35,43)(H,36,41)(H,37,45)(H,38,44)(H,39,46)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000550 (CHEMBL298903) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C38H61N7O11/c1-9-22(6)33(37(54)45-32(21(4)5)38(55)56-8)44-31(50)18-29(48)25(16-24-13-11-10-12-14-24)41-35(52)27(17-30(39)49)43-34(51)26(15-20(2)3)42-36(53)28(19-46)40-23(7)47/h10-14,20-22,25-29,32-33,46,48H,9,15-19H2,1-8H3,(H2,39,49)(H,40,47)(H,41,52)(H,42,53)(H,43,51)(H,44,50)(H,45,54)/t22-,25-,26-,27-,28-,29-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014021 (2-[(1-{2-[2-(2-Acetylamino-4-methyl-pentanoylamino...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)OC |r| Show InChI InChI=1S/C31H56N6O8/c1-9-19(6)27(31(44)45-8)36-30(43)24-11-10-12-37(24)16-25(39)21(13-17(2)3)34-29(42)23(15-26(32)40)35-28(41)22(14-18(4)5)33-20(7)38/h17-19,21-25,27,39H,9-16H2,1-8H3,(H2,32,40)(H,33,38)(H,34,42)(H,35,41)(H,36,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibitory activity against HIV Protease was measured at pH 6.4 and 37 degrees C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014030 (2-(2-Acetylamino-3-hydroxy-propionylamino)-pentane...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(N)=O |r| Show InChI InChI=1S/C38H60N10O10/c1-20(2)31(33(41)53)46-38(58)32(21(3)4)47-37(57)28-12-9-15-48(28)18-24(16-23-10-7-6-8-11-23)43-35(55)26(17-30(40)52)45-34(54)25(13-14-29(39)51)44-36(56)27(19-49)42-22(5)50/h6-8,10-11,20-21,24-28,31-32,49H,9,12-19H2,1-5H3,(H2,39,51)(H2,40,52)(H2,41,53)(H,42,50)(H,43,55)(H,44,56)(H,45,54)(H,46,58)(H,47,57)/t24-,25-,26-,27-,28-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000698 (CHEMBL49026) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(C)C Show InChI InChI=1S/C36H56N8O12/c1-18(2)30(35(54)44-31(19(3)4)36(55)56-6)43-29(50)16-26(47)23(14-21-10-8-7-9-11-21)41-33(52)24(15-28(38)49)42-32(51)22(12-13-27(37)48)40-34(53)25(17-45)39-20(5)46/h7-11,18-19,22-26,30-31,45,47H,12-17H2,1-6H3,(H2,37,48)(H2,38,49)(H,39,46)(H,40,53)(H,41,52)(H,42,51)(H,43,50)(H,44,54)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	6.4	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C				J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS
					More data for this Ligand-Target Pair