Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'kruger' and Initial = 'hg'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485187 (CHEMBL2035872) Show SMILES O[C@H]([C@@H](O)C(OCc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)C(OCc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O |r| Show InChI InChI=1S/C38H40N2O8/c41-31-27-17-9-7-15-25(27)19-29(31)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-30-20-26-16-8-10-18-28(26)32(30)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35?,36?/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485183 (CHEMBL2034991) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(C\C=C\c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(=O)NC[C@H]1OC(O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C39H55N3O9/c1-39(2,3)51-38(49)41-29(22-26-16-9-5-10-17-26)30(43)23-28(21-13-18-25-14-7-4-8-15-25)35(46)42-32(27-19-11-6-12-20-27)36(47)40-24-31-33(44)34(45)37(48)50-31/h4-5,7-10,13-18,27-34,37,43-45,48H,6,11-12,19-24H2,1-3H3,(H,40,47)(H,41,49)(H,42,46)/b18-13+/t28?,29-,30-,31+,32-,33-,34+,37?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...) 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 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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (Human immunodeficiency virus)	BDBM50180655 (A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...) 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 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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...) 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 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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 protease (Human immunodeficiency virus)	BDBM50483620 (CHEMBL1761675) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:35:36:43.42:40,38:37:43.42:40| Show InChI InChI=1S/C29H42N6O9/c1-4-9(2)22(33-24(40)13(30)8-36)26(42)31-10(3)23(39)32-14(5-6-15(37)38)25(41)34-29-19-12-7-11-16-17(12)21(29)20(16)28(44,18(11)19)27(43)35-29/h9-14,16-22,36,44H,4-8,30H2,1-3H3,(H,31,42)(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,37,38)/t9-,10-,11?,12?,13-,14-,16?,17?,18?,19?,20?,21?,22-,28?,29?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483620 (CHEMBL1761675) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:35:36:43.42:40,38:37:43.42:40| Show InChI InChI=1S/C29H42N6O9/c1-4-9(2)22(33-24(40)13(30)8-36)26(42)31-10(3)23(39)32-14(5-6-15(37)38)25(41)34-29-19-12-7-11-16-17(12)21(29)20(16)28(44,18(11)19)27(43)35-29/h9-14,16-22,36,44H,4-8,30H2,1-3H3,(H,31,42)(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,37,38)/t9-,10-,11?,12?,13-,14-,16?,17?,18?,19?,20?,21?,22-,28?,29?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483622 (CHEMBL1761681) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@]12NC(=O)[C@]3(O)C4C5C(C14)C1CC5C3C21 |r,THB:26:27:34.33:31,29:28:34.33:31| Show InChI InChI=1S/C24H35N5O6/c1-4-7(2)18(27-20(32)11(25)6-30)21(33)26-8(3)19(31)28-24-15-10-5-9-12-13(10)17(24)16(12)23(35,14(9)15)22(34)29-24/h7-18,30,35H,4-6,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)(H,29,34)/t7-,8-,9?,10?,11-,12?,13?,14?,15?,16?,17?,18-,23+,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50483627 (CHEMBL1761678) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:29:30:37.36:34,32:31:37.36:34| Show InChI InChI=1S/C26H37N5O7/c1-4-8(2)20(27)23(36)28-9(3)21(34)29-12(5-6-13(32)33)22(35)30-26-17-11-7-10-14-15(11)19(26)18(14)25(38,16(10)17)24(37)31-26/h8-12,14-20,38H,4-7,27H2,1-3H3,(H,28,36)(H,29,34)(H,30,35)(H,31,37)(H,32,33)/t8-,9-,10?,11?,12-,14?,15?,16?,17?,18?,19?,20-,25?,26?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50484277 (CHEMBL1829140) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:26:27:31:34.33,29:28:31:34.33| Show InChI InChI=1S/C24H35N5O6/c1-4-7(2)18(27-20(32)11(25)6-30)21(33)26-8(3)19(31)28-24-15-10-5-9-12-13(10)17(24)16(12)23(35,14(9)15)22(34)29-24/h7-18,30,35H,4-6,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)(H,29,34)/t7-,8-,9?,10?,11-,12?,13?,14?,15?,16?,17?,18-,23?,24?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50484277 (CHEMBL1829140) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:26:27:31:34.33,29:28:31:34.33| Show InChI InChI=1S/C24H35N5O6/c1-4-7(2)18(27-20(32)11(25)6-30)21(33)26-8(3)19(31)28-24-15-10-5-9-12-13(10)17(24)16(12)23(35,14(9)15)22(34)29-24/h7-18,30,35H,4-6,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)(H,29,34)/t7-,8-,9?,10?,11-,12?,13?,14?,15?,16?,17?,18-,23?,24?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483627 (CHEMBL1761678) Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:29:30:37.36:34,32:31:37.36:34| Show InChI InChI=1S/C26H37N5O7/c1-4-8(2)20(27)23(36)28-9(3)21(34)29-12(5-6-13(32)33)22(35)30-26-17-11-7-10-14-15(11)19(26)18(14)25(38,16(10)17)24(37)31-26/h8-12,14-20,38H,4-7,27H2,1-3H3,(H,28,36)(H,29,34)(H,30,35)(H,31,37)(H,32,33)/t8-,9-,10?,11?,12-,14?,15?,16?,17?,18?,19?,20-,25?,26?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485185 (CHEMBL2035871) Show SMILES [H][C@]12OC([C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)NCc3ccccc3)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C25H37N3O8/c1-13(2)18(23(32)33)28-22(31)14(3)27-17(29)11-16(26-12-15-9-7-6-8-10-15)20-19(30)21-24(34-20)36-25(4,5)35-21/h6-10,13-14,16,18-21,24,26,30H,11-12H2,1-5H3,(H,27,29)(H,28,31)(H,32,33)/t14-,16-,18-,19-,20?,21+,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485186 (CHEMBL2035868) Show SMILES [H][C@]12OC([C@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)NCc3ccccc3)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C32H43N3O8/c1-19(2)25(30(38)39)35-29(37)20(3)34-24(36)16-23(33-17-21-12-8-6-9-13-21)26-27(40-18-22-14-10-7-11-15-22)28-31(41-26)43-32(4,5)42-28/h6-15,19-20,23,25-28,31,33H,16-18H2,1-5H3,(H,34,36)(H,35,37)(H,38,39)/t20-,23-,25-,26?,27-,28+,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485180 (CHEMBL2035865) Show SMILES [H][C@]12OC([C@H](N)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C18H31N3O8/c1-7(2)11(15(24)20-8(3)16(25)26)21-10(22)6-9(19)13-12(23)14-17(27-13)29-18(4,5)28-14/h7-9,11-14,17,23H,6,19H2,1-5H3,(H,20,24)(H,21,22)(H,25,26)/t8-,9+,11-,12-,13?,14+,17+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485188 (CHEMBL2035866) Show SMILES [H][C@]12OC([C@@H](N)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C18H31N3O8/c1-7(2)11(15(24)20-8(3)16(25)26)21-10(22)6-9(19)13-12(23)14-17(27-13)29-18(4,5)28-14/h7-9,11-14,17,23H,6,19H2,1-5H3,(H,20,24)(H,21,22)(H,25,26)/t8-,9-,11-,12-,13?,14+,17+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485181 (CHEMBL2035867) Show SMILES [H][C@]12OC([C@@H](CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)NCc3ccccc3)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C32H43N3O8/c1-19(2)25(30(38)39)35-29(37)20(3)34-24(36)16-23(33-17-21-12-8-6-9-13-21)26-27(40-18-22-14-10-7-11-15-22)28-31(41-26)43-32(4,5)42-28/h6-15,19-20,23,25-28,31,33H,16-18H2,1-5H3,(H,34,36)(H,35,37)(H,38,39)/t20-,23+,25-,26?,27-,28+,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485191 (CHEMBL2035863) Show SMILES [H][C@]12OC([C@@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)NCc3ccccc3)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C32H43N3O8/c1-19(2)25(29(37)34-20(3)30(38)39)35-24(36)16-23(33-17-21-12-8-6-9-13-21)26-27(40-18-22-14-10-7-11-15-22)28-31(41-26)43-32(4,5)42-28/h6-15,19-20,23,25-28,31,33H,16-18H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t20-,23+,25-,26?,27-,28+,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485189 (CHEMBL2035864) Show SMILES [H][C@]12OC([C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O)NCc3ccccc3)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C32H43N3O8/c1-19(2)25(29(37)34-20(3)30(38)39)35-24(36)16-23(33-17-21-12-8-6-9-13-21)26-27(40-18-22-14-10-7-11-15-22)28-31(41-26)43-32(4,5)42-28/h6-15,19-20,23,25-28,31,33H,16-18H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t20-,23-,25-,26?,27-,28+,31+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50483621 (CHEMBL1761679) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:37:38:45.44:42,40:39:45.44:42| Show InChI InChI=1S/C31H46N6O9/c1-5-11(4)24(35-25(41)14(32)9-38)28(44)34-23(10(2)3)27(43)33-15(6-7-16(39)40)26(42)36-31-20-13-8-12-17-18(13)22(31)21(17)30(46,19(12)20)29(45)37-31/h10-15,17-24,38,46H,5-9,32H2,1-4H3,(H,33,43)(H,34,44)(H,35,41)(H,36,42)(H,37,45)(H,39,40)/t11-,12?,13?,14-,15-,17?,18?,19?,20?,21?,22?,23-,24-,30?,31?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483621 (CHEMBL1761679) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:37:38:45.44:42,40:39:45.44:42| Show InChI InChI=1S/C31H46N6O9/c1-5-11(4)24(35-25(41)14(32)9-38)28(44)34-23(10(2)3)27(43)33-15(6-7-16(39)40)26(42)36-31-20-13-8-12-17-18(13)22(31)21(17)30(46,19(12)20)29(45)37-31/h10-15,17-24,38,46H,5-9,32H2,1-4H3,(H,33,43)(H,34,44)(H,35,41)(H,36,42)(H,37,45)(H,39,40)/t11-,12?,13?,14-,15-,17?,18?,19?,20?,21?,22?,23-,24-,30?,31?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483625 (CHEMBL1761680) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:35:36:43.42:40,38:37:43.42:40| Show InChI InChI=1S/C29H43N7O8/c1-4-9(2)22(34-24(40)13(30)8-37)26(42)32-10(3)23(39)33-14(5-6-15(31)38)25(41)35-29-19-12-7-11-16-17(12)21(29)20(16)28(44,18(11)19)27(43)36-29/h9-14,16-22,37,44H,4-8,30H2,1-3H3,(H2,31,38)(H,32,42)(H,33,39)(H,34,40)(H,35,41)(H,36,43)/t9-,10-,11?,12?,13-,14-,16?,17?,18?,19?,20?,21?,22-,28?,29?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50483625 (CHEMBL1761680) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC12NC(=O)C3(O)C4C5C(C14)C1CC5C3C21 |r,THB:35:36:43.42:40,38:37:43.42:40| Show InChI InChI=1S/C29H43N7O8/c1-4-9(2)22(34-24(40)13(30)8-37)26(42)32-10(3)23(39)33-14(5-6-15(31)38)25(41)35-29-19-12-7-11-16-17(12)21(29)20(16)28(44,18(11)19)27(43)36-29/h9-14,16-22,37,44H,4-8,30H2,1-3H3,(H2,31,38)(H,32,42)(H,33,39)(H,34,40)(H,35,41)(H,36,43)/t9-,10-,11?,12?,13-,14-,16?,17?,18?,19?,20?,21?,22-,28?,29?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50483626 (CHEMBL1761676) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C23H35N5O8/c1-4-12(2)19(28-21(34)16(24)11-29)23(36)25-13(3)20(33)27-17(8-9-18(31)32)22(35)26-14-6-5-7-15(30)10-14/h5-7,10,12-13,16-17,19,29-30H,4,8-9,11,24H2,1-3H3,(H,25,36)(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t12-,13-,16-,17-,19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485190 (CHEMBL2035870) Show SMILES [H][C@]12OC([C@@H](N)CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C18H31N3O8/c1-7(2)11(16(25)26)21-15(24)8(3)20-10(22)6-9(19)13-12(23)14-17(27-13)29-18(4,5)28-14/h7-9,11-14,17,23H,6,19H2,1-5H3,(H,20,22)(H,21,24)(H,25,26)/t8-,9-,11-,12-,13?,14+,17+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483623 (CHEMBL1761677) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(OC(C)=O)C4C5C(C14)C1CC5C3C21 |r,THB:38:39:46.45:43,41:40:46.45:43| Show InChI InChI=1S/C31H44N6O10/c1-5-10(2)24(35-26(43)15(32)9-38)28(45)33-11(3)25(42)34-16(6-7-17(40)41)27(44)36-31-21-14-8-13-18-19(14)23(31)22(18)30(20(13)21,29(46)37-31)47-12(4)39/h10-11,13-16,18-24,38H,5-9,32H2,1-4H3,(H,33,45)(H,34,42)(H,35,43)(H,36,44)(H,37,46)(H,40,41)/t10-,11-,13?,14?,15-,16-,18?,19?,20?,21?,22?,23?,24-,30?,31?/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483624 (CHEMBL1761682) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@]12NC(=O)[C@@]3(O)C4C5C(C14)C1CC5C3C21 |r,THB:26:27:34.33:31,29:28:34.33:31| Show InChI InChI=1S/C24H35N5O6/c1-4-7(2)18(27-20(32)11(25)6-30)21(33)26-8(3)19(31)28-24-15-10-5-9-12-13(10)17(24)16(12)23(35,14(9)15)22(34)29-24/h7-18,30,35H,4-6,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)(H,29,34)/t7-,8-,9?,10?,11-,12?,13?,14?,15?,16?,17?,18-,23-,24-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50483626 (CHEMBL1761676) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C23H35N5O8/c1-4-12(2)19(28-21(34)16(24)11-29)23(36)25-13(3)20(33)27-17(8-9-18(31)32)22(35)26-14-6-5-7-15(30)10-14/h5-7,10,12-13,16-17,19,29-30H,4,8-9,11,24H2,1-3H3,(H,25,36)(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t12-,13-,16-,17-,19-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease expressed in Escherichia coli BL21 assessed as hydrolysis of substrate using chromogenic substrate Lys-Ala-Arg-...				Bioorg Med Chem Lett 21: 2274-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.105 BindingDB Entry DOI: 10.7270/Q2QZ2DST
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485182 (CHEMBL2035869) Show SMILES [H][C@]12OC([C@H](N)CC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@@]1([H])OC(C)(C)O2 |r| Show InChI InChI=1S/C18H31N3O8/c1-7(2)11(16(25)26)21-15(24)8(3)20-10(22)6-9(19)13-12(23)14-17(27-13)29-18(4,5)28-14/h7-9,11-14,17,23H,6,19H2,1-5H3,(H,20,22)(H,21,24)(H,25,26)/t8-,9+,11-,12-,13?,14+,17+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of South African HIV1 subtype C protease expressed in Escherichia coli BL21S4 (DE3)pLysS cells using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-A...				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50483623 (CHEMBL1761677) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC12NC(=O)C3(OC(C)=O)C4C5C(C14)C1CC5C3C21 |r,THB:38:39:46.45:43,41:40:46.45:43| Show InChI InChI=1S/C31H44N6O10/c1-5-10(2)24(35-26(43)15(32)9-38)28(45)33-11(3)25(42)34-16(6-7-17(40)41)27(44)36-31-21-14-8-13-18-19(14)23(31)22(18)30(20(13)21,29(46)37-31)47-12(4)39/h10-11,13-16,18-24,38H,5-9,32H2,1-4H3,(H,33,45)(H,34,42)(H,35,43)(H,36,44)(H,37,46)(H,40,41)/t10-,11-,13?,14?,15-,16-,18?,19?,20?,21?,22?,23?,24-,30?,31?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 subtype C protease Q7K mutant expressed in Escherichia coli BL21 (DE3) pLysS using Lys-Ala-Arg-Val-Nle-p-nitro-Phe-Glu-Ala-Nle-NH2...				Eur J Med Chem 46: 3976-85 (2011) Article DOI: 10.1016/j.ejmech.2011.05.071 BindingDB Entry DOI: 10.7270/Q2WD43DZ
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485184 (CHEMBL2035873) Show SMILES COC(=O)[C@H](CC(C)C)NC(C)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC |r| Show InChI InChI=1S/C39H56N4O10/c1-22(2)18-29(38(49)51-6)40-24(5)27(20-25-14-10-8-11-15-25)41-36(47)33-31(44)32(45)34(53-33)37(48)42-28(21-26-16-12-9-13-17-26)35(46)43-30(19-23(3)4)39(50)52-7/h8-17,22-24,27-34,40,44-45H,18-21H2,1-7H3,(H,41,47)(H,42,48)(H,43,46)/t24?,27-,28-,29-,30-,31-,32-,33+,34+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				Eur J Med Chem 53: 13-21 (2012) Article DOI: 10.1016/j.ejmech.2012.03.027 BindingDB Entry DOI: 10.7270/Q2QC06CB
					More data for this Ligand-Target Pair