Compile Data Set for Download or QSAR

Found 1430 hits with Last Name = 'ettmayer' and Initial = 'p'   

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)	BDBM50407675 (CHEMBL342293) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccn1)C(C)(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C43H54N6O6/c1-29(2)35(39(51)46-27-32-21-13-8-14-22-32)48-40(52)36(45-26-31-19-11-7-12-20-31)37(50)34(25-30-17-9-6-10-18-30)47-41(53)38(43(3,4)5)49-42(54)55-28-33-23-15-16-24-44-33/h6-24,29,34-38,45,50H,25-28H2,1-5H3,(H,46,51)(H,47,53)(H,48,52)(H,49,54)/t34-,35-,36+,37+,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1226 (2-Aminobenzyl-Substituted AHPPA deriv. 44 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C49H56N6O7/c1-49(2,3)44(55-48(61)62-31-35-17-9-5-10-18-35)46(59)53-39(27-32-15-7-4-8-16-32)43(57)42(45(58)54-41-38-22-14-13-19-36(38)28-40(41)56)50-29-33-23-25-34(26-24-33)30-51-47(60)52-37-20-11-6-12-21-37/h4-26,39-44,50,56-57H,27-31H2,1-3H3,(H,53,59)(H,54,58)(H,55,61)(H2,51,52,60)/t39-,40+,41-,42+,43+,44+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1226 (2-Aminobenzyl-Substituted AHPPA deriv. 44 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C49H56N6O7/c1-49(2,3)44(55-48(61)62-31-35-17-9-5-10-18-35)46(59)53-39(27-32-15-7-4-8-16-32)43(57)42(45(58)54-41-38-22-14-13-19-36(38)28-40(41)56)50-29-33-23-25-34(26-24-33)30-51-47(60)52-37-20-11-6-12-21-37/h4-26,39-44,50,56-57H,27-31H2,1-3H3,(H,53,59)(H,54,58)(H,55,61)(H2,51,52,60)/t39-,40+,41-,42+,43+,44+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407702 (CHEMBL357477) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C46H56N6O7/c1-29(2)39(43(54)48-27-35-25-34-18-12-13-19-37(34)49-35)51-45(56)41(47-26-32-20-22-36(58-5)23-21-32)42(53)38(24-31-14-8-6-9-15-31)50-44(55)40(30(3)4)52-46(57)59-28-33-16-10-7-11-17-33/h6-23,25,29-30,38-42,47,49,53H,24,26-28H2,1-5H3,(H,48,54)(H,50,55)(H,51,56)(H,52,57)/t38-,39-,40-,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM964 (2-Aminobenzyl-Substituted AHPPA deriv. 1 | 5PhBuCO...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38-,39-,40+,41+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	-50.3	25	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM874 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1 | ...) Show SMILES COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)NC(C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38?,39-,40+,41?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	-50.3	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM964 (2-Aminobenzyl-Substituted AHPPA deriv. 1 | 5PhBuCO...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38-,39-,40+,41+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1228 (2-Aminobenzyl-Substituted AHPPA deriv. 46 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C52H59N7O7/c1-52(2,3)48(59-51(65)66-32-36-16-8-5-9-17-36)50(64)57-41(28-33-14-6-4-7-15-33)47(62)46(49(63)58-45-38-19-11-10-18-37(38)29-42(45)60)54-31-35-24-22-34(23-25-35)30-53-44(61)27-26-43-55-39-20-12-13-21-40(39)56-43/h4-25,41-42,45-48,54,60,62H,26-32H2,1-3H3,(H,53,61)(H,55,56)(H,57,64)(H,58,63)(H,59,65)/t41-,42+,45-,46+,47+,48+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1228 (2-Aminobenzyl-Substituted AHPPA deriv. 46 | benzyl...) Show SMILES CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C52H59N7O7/c1-52(2,3)48(59-51(65)66-32-36-16-8-5-9-17-36)50(64)57-41(28-33-14-6-4-7-15-33)47(62)46(49(63)58-45-38-19-11-10-18-37(38)29-42(45)60)54-31-35-24-22-34(23-25-35)30-53-44(61)27-26-43-55-39-20-12-13-21-40(39)56-43/h4-25,41-42,45-48,54,60,62H,26-32H2,1-3H3,(H,53,61)(H,55,56)(H,57,64)(H,58,63)(H,59,65)/t41-,42+,45-,46+,47+,48+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407703 (CHEMBL25374) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccc(OC)cc2OC)cc1 Show InChI InChI=1S/C46H59N5O9/c1-29(2)39(43(53)48-27-34-20-23-36(58-6)25-38(34)59-7)50-45(55)41(47-26-32-18-21-35(57-5)22-19-32)42(52)37(24-31-14-10-8-11-15-31)49-44(54)40(30(3)4)51-46(56)60-28-33-16-12-9-13-17-33/h8-23,25,29-30,37,39-42,47,52H,24,26-28H2,1-7H3,(H,48,53)(H,49,54)(H,50,55)(H,51,56)/t37-,39-,40-,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407660 (CHEMBL342319) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccncc3[nH]2)cc1 Show InChI InChI=1S/C44H54N8O7/c1-27(2)37(41(54)47-25-36-48-33-20-21-45-24-35(33)49-36)51-43(56)39(46-23-30-16-18-32(58-5)19-17-30)40(53)34(22-29-12-8-6-9-13-29)50-42(55)38(28(3)4)52-44(57)59-26-31-14-10-7-11-15-31/h6-21,24,27-28,34,37-40,46,53H,22-23,25-26H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t34-,37-,38-,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407681 (CHEMBL356941) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(O)c(I)c2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C47H58IN7O7/c1-28(2)40(44(59)50-27-38-51-34-14-10-11-15-35(34)52-38)55-45(60)41(49-26-31-16-20-32(62-6)21-17-31)42(58)36(25-29-12-8-7-9-13-29)53-46(61)43(47(3,4)5)54-39(57)23-19-30-18-22-37(56)33(48)24-30/h7-18,20-22,24,28,36,40-43,49,56,58H,19,23,25-27H2,1-6H3,(H,50,59)(H,51,52)(H,53,61)(H,54,57)(H,55,60)/t36-,40-,41+,42+,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM967 (5PhBuCOOH deriv. | Statine deriv. 50 | Tle-Val-Sta...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C46H57N7O7/c1-29(2)38(42(55)48-27-37-49-34-19-13-14-20-35(34)50-37)52-43(56)39(47-26-31-21-23-33(59-6)24-22-31)40(54)36(25-30-15-9-7-10-16-30)51-44(57)41(46(3,4)5)53-45(58)60-28-32-17-11-8-12-18-32/h7-24,29,36,38-41,47,54H,25-28H2,1-6H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t36-,38-,39+,40+,41+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4.57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM967 (5PhBuCOOH deriv. | Statine deriv. 50 | Tle-Val-Sta...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C46H57N7O7/c1-29(2)38(42(55)48-27-37-49-34-19-13-14-20-35(34)50-37)52-43(56)39(47-26-31-21-23-33(59-6)24-22-31)40(54)36(25-30-15-9-7-10-16-30)51-44(57)41(46(3,4)5)53-45(58)60-28-32-17-11-8-12-18-32/h7-24,29,36,38-41,47,54H,25-28H2,1-6H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t36-,38-,39+,40+,41+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407650 (CHEMBL263779) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(cc2)C(P(O)(=O)OCc2ccccc2)P(O)(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C62H75N7O12P2/c1-41(2)54(58(72)64-38-52-65-49-24-16-17-25-50(49)66-52)69-59(73)55(63-37-44-28-33-48(79-6)34-29-44)56(71)51(36-43-18-10-7-11-19-43)67-60(74)57(62(3,4)5)68-53(70)35-30-42-26-31-47(32-27-42)61(82(75,76)80-39-45-20-12-8-13-21-45)83(77,78)81-40-46-22-14-9-15-23-46/h7-29,31-34,41,51,54-57,61,63,71H,30,35-40H2,1-6H3,(H,64,72)(H,65,66)(H,67,74)(H,68,70)(H,69,73)(H,75,76)(H,77,78)/t51-,54-,55+,56+,57+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407695 (CHEMBL357894) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Br)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C47H53BrN8O5/c1-28(2)39(44(59)50-27-38-52-34-17-11-12-18-35(34)53-38)55-45(60)40(49-26-30-19-22-32(48)23-20-30)41(57)37(25-29-13-7-6-8-14-29)54-46(61)42(47(3,4)5)56-43(58)36-24-21-31-15-9-10-16-33(31)51-36/h6-24,28,37,39-42,49,57H,25-27H2,1-5H3,(H,50,59)(H,52,53)(H,54,61)(H,55,60)(H,56,58)/t37-,39-,40+,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1225 (2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...) Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C44H53N5O7/c1-28(50)45-25-30-19-21-31(22-20-30)26-46-38(41(53)48-37-34-18-12-11-17-33(34)24-36(37)51)39(52)35(23-29-13-7-5-8-14-29)47-42(54)40(44(2,3)4)49-43(55)56-27-32-15-9-6-10-16-32/h5-22,35-40,46,51-52H,23-27H2,1-4H3,(H,45,50)(H,47,54)(H,48,53)(H,49,55)/t35-,36+,37-,38+,39+,40+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1225 (2-Aminobenzyl-Substituted AHPPA deriv. 43 | benzyl...) Show SMILES CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C44H53N5O7/c1-28(50)45-25-30-19-21-31(22-20-30)26-46-38(41(53)48-37-34-18-12-11-17-33(34)24-36(37)51)39(52)35(23-29-13-7-5-8-14-29)47-42(54)40(44(2,3)4)49-43(55)56-27-32-15-9-6-10-16-32/h5-22,35-40,46,51-52H,23-27H2,1-4H3,(H,45,50)(H,47,54)(H,48,53)(H,49,55)/t35-,36+,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1220 ((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)\C=C\c2ccc(OC)c(O)c2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C44H52N4O8/c1-44(2,3)41(47-37(51)22-18-28-17-21-36(56-5)34(49)24-28)43(54)46-33(23-27-11-7-6-8-12-27)40(52)39(45-26-29-15-19-31(55-4)20-16-29)42(53)48-38-32-14-10-9-13-30(32)25-35(38)50/h6-22,24,33,35,38-41,45,49-50,52H,23,25-26H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/b22-18+/t33-,35+,38-,39+,40+,41+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1215 ((2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(4-methyl-4H...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C39H49N7O6S/c1-39(2,3)35(43-31(48)22-53-38-45-41-23-46(38)4)37(51)42-29(19-24-11-7-6-8-12-24)34(49)33(40-21-25-15-17-27(52-5)18-16-25)36(50)44-32-28-14-10-9-13-26(28)20-30(32)47/h6-18,23,29-30,32-35,40,47,49H,19-22H2,1-5H3,(H,42,51)(H,43,48)(H,44,50)/t29-,30+,32-,33+,34+,35+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM969 ((2R,3R,4S)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmeth...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@](C)(O)c2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C47H59N7O7/c1-29(2)38(42(56)49-28-37-50-34-20-14-15-21-35(34)51-37)53-43(57)39(48-27-31-22-24-33(61-7)25-23-31)40(55)36(26-30-16-10-8-11-17-30)52-44(58)41(46(3,4)5)54-45(59)47(6,60)32-18-12-9-13-19-32/h8-25,29,36,38-41,48,55,60H,26-28H2,1-7H3,(H,49,56)(H,50,51)(H,52,58)(H,53,57)(H,54,59)/t36-,38-,39+,40+,41+,47-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407667 (CHEMBL344977) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C47H59N7O7/c1-29(2)39(44(58)49-28-38-50-34-19-13-14-20-35(34)51-38)53-45(59)40(48-27-32-21-23-33(61-6)24-22-32)41(56)36(25-30-15-9-7-10-16-30)52-46(60)42(47(3,4)5)54-43(57)37(55)26-31-17-11-8-12-18-31/h7-24,29,36-37,39-42,48,55-56H,25-28H2,1-6H3,(H,49,58)(H,50,51)(H,52,60)(H,53,59)(H,54,57)/t36-,37-,39-,40+,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407652 (CHEMBL147904) Show SMILES COC(=O)CC[C@H](NC(=O)[C@H](NCc1ccc(OC)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccc(OC)cc1O Show InChI InChI=1S/C46H57N5O11/c1-29(2)40(51-46(58)62-28-32-14-10-7-11-15-32)44(56)50-37(24-30-12-8-6-9-13-30)42(54)41(47-26-31-16-19-34(59-3)20-17-31)45(57)49-36(22-23-39(53)61-5)43(55)48-27-33-18-21-35(60-4)25-38(33)52/h6-21,25,29,36-37,40-42,47,52,54H,22-24,26-28H2,1-5H3,(H,48,55)(H,49,57)(H,50,56)(H,51,58)/t36-,37-,40-,41+,42+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM926 (5PhBuCOOH deriv. | Statine deriv. 6 | Tle-Val-Sta ...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C43H53N5O6/c1-29(2)36(40(50)45-27-33-21-13-7-14-22-33)47-42(52)38(44-26-32-19-11-6-12-20-32)39(49)35(25-31-17-9-5-10-18-31)46-41(51)37(30(3)4)48-43(53)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,44,49H,25-28H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)(H,48,53)/t35-,36-,37-,38+,39+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	-48.8	n/a	n/a	n/a	n/a	n/a	6.25	37
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM965 (5PhBuCOOH deriv. | Statine deriv. 48 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C44H52ClN7O6/c1-27(2)37(41(54)47-25-36-48-33-17-11-12-18-34(33)49-36)51-43(56)39(46-24-30-19-21-32(45)22-20-30)40(53)35(23-29-13-7-5-8-14-29)50-42(55)38(28(3)4)52-44(57)58-26-31-15-9-6-10-16-31/h5-22,27-28,35,37-40,46,53H,23-26H2,1-4H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t35-,37-,38-,39+,40+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM965 (5PhBuCOOH deriv. | Statine deriv. 48 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C44H52ClN7O6/c1-27(2)37(41(54)47-25-36-48-33-17-11-12-18-34(33)49-36)51-43(56)39(46-24-30-19-21-32(45)22-20-30)40(53)35(23-29-13-7-5-8-14-29)50-42(55)38(28(3)4)52-44(57)58-26-31-15-9-6-10-16-31/h5-22,27-28,35,37-40,46,53H,23-26H2,1-4H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t35-,37-,38-,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM926 (5PhBuCOOH deriv. | Statine deriv. 6 | Tle-Val-Sta ...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C43H53N5O6/c1-29(2)36(40(50)45-27-33-21-13-7-14-22-33)47-42(52)38(44-26-32-19-11-6-12-20-32)39(49)35(25-31-17-9-5-10-18-31)46-41(51)37(30(3)4)48-43(53)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-39,44,49H,25-28H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)(H,48,53)/t35-,36-,37-,38+,39+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	6.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407645 (CHEMBL342067) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C42H51ClN6O6/c1-27(2)35(39(51)46-25-33-17-11-12-22-44-33)48-41(53)37(45-24-30-18-20-32(43)21-19-30)38(50)34(23-29-13-7-5-8-14-29)47-40(52)36(28(3)4)49-42(54)55-26-31-15-9-6-10-16-31/h5-22,27-28,34-38,45,50H,23-26H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t34-,35-,36-,37+,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM856 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 22 |...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCCCNC(=O)C(NC1=O)C(C)C)cc2 |r| Show InChI InChI=1S/C40H53N5O7/c1-26(2)33-37(47)41-21-11-12-22-51-31-19-17-29(18-20-31)24-42-35(39(49)44-33)36(46)32(23-28-13-7-5-8-14-28)43-38(48)34(27(3)4)45-40(50)52-25-30-15-9-6-10-16-30/h5-10,13-20,26-27,32-36,42,46H,11-12,21-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	-48.6	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM858 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r| Show InChI InChI=1S/C42H57N5O9/c1-28(2)35-39(49)43-19-20-53-21-22-54-23-24-55-33-17-15-31(16-18-33)26-44-37(41(51)46-35)38(48)34(25-30-11-7-5-8-12-30)45-40(50)36(29(3)4)47-42(52)56-27-32-13-9-6-10-14-32/h5-18,28-29,34-38,44,48H,19-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35?,36-,37+,38?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.90	-48.5	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM928 (5PhBuCOOH deriv. | Statine deriv. 8 | Tle-Val-Sta ...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C42H51N5O6/c1-28(2)35(39(49)43-26-31-19-11-6-12-20-31)46-41(51)37(44-33-23-15-8-16-24-33)38(48)34(25-30-17-9-5-10-18-30)45-40(50)36(29(3)4)47-42(52)53-27-32-21-13-7-14-22-32/h5-24,28-29,34-38,44,48H,25-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36-,37+,38+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.90	-48.5	n/a	n/a	n/a	n/a	n/a	6.25	37
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM928 (5PhBuCOOH deriv. | Statine deriv. 8 | Tle-Val-Sta ...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C42H51N5O6/c1-28(2)35(39(49)43-26-31-19-11-6-12-20-31)46-41(51)37(44-33-23-15-8-16-24-33)38(48)34(25-30-17-9-5-10-18-30)45-40(50)36(29(3)4)47-42(52)53-27-32-21-13-7-14-22-32/h5-24,28-29,34-38,44,48H,25-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36-,37+,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	6.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407643 (CHEMBL357218) Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCc2ccc(OCCOCCCOCCNC(=O)[C@@H](CC1=O)C(C)C)cc2 Show InChI InChI=1S/C38H56N2O7/c1-26(2)33-25-34(41)32(37(43)30(23-29-9-6-5-7-10-29)24-35(42)36(39)27(3)4)16-13-28-11-14-31(15-12-28)47-22-21-46-19-8-18-45-20-17-40-38(33)44/h5-7,9-12,14-15,26-27,30,32-33,36-37,43H,8,13,16-25,39H2,1-4H3,(H,40,44)/t30-,32+,33+,36+,37-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407676 (CHEMBL341746) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C42H52N6O6/c1-28(2)35(39(50)45-25-31-17-10-6-11-18-31)47-41(52)37(44-26-33-21-14-22-43-24-33)38(49)34(23-30-15-8-5-9-16-30)46-40(51)36(29(3)4)48-42(53)54-27-32-19-12-7-13-20-32/h5-22,24,28-29,34-38,44,49H,23,25-27H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-,37+,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM936 (5PhBuCOOH deriv. | Statine deriv. 16 | Tle-Val-Sta...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2)cc1 |r| Show InChI InChI=1S/C44H55N5O7/c1-29(2)37(41(51)46-27-32-17-11-7-12-18-32)48-43(53)39(45-26-33-21-23-35(55-5)24-22-33)40(50)36(25-31-15-9-6-10-16-31)47-42(52)38(30(3)4)49-44(54)56-28-34-19-13-8-14-20-34/h6-24,29-30,36-40,45,50H,25-28H2,1-5H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	-48.3	n/a	n/a	n/a	n/a	n/a	6.25	37
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM936 (5PhBuCOOH deriv. | Statine deriv. 16 | Tle-Val-Sta...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2)cc1 |r| Show InChI InChI=1S/C44H55N5O7/c1-29(2)37(41(51)46-27-32-17-11-7-12-18-32)48-43(53)39(45-26-33-21-23-35(55-5)24-22-33)40(50)36(25-31-15-9-6-10-16-31)47-42(52)38(30(3)4)49-44(54)56-28-34-19-13-8-14-20-34/h6-24,29-30,36-40,45,50H,25-28H2,1-5H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37-,38-,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM859 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 24 |...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r| Show InChI InChI=1S/C44H61N5O10/c1-30(2)37-41(51)45-19-20-55-21-22-56-23-24-57-25-26-58-35-17-15-33(16-18-35)28-46-39(43(53)48-37)40(50)36(27-32-11-7-5-8-12-32)47-42(52)38(31(3)4)49-44(54)59-29-34-13-9-6-10-14-34/h5-18,30-31,36-40,46,50H,19-29H2,1-4H3,(H,45,51)(H,47,52)(H,48,53)(H,49,54)/t36-,37?,38-,39+,40?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	-48.2	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM966 (5PhBuCOOH deriv. | Statine deriv. 49 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C45H54ClN7O6/c1-28(2)37(41(55)48-26-36-49-33-18-12-13-19-34(33)50-36)52-42(56)38(47-25-30-20-22-32(46)23-21-30)39(54)35(24-29-14-8-6-9-15-29)51-43(57)40(45(3,4)5)53-44(58)59-27-31-16-10-7-11-17-31/h6-23,28,35,37-40,47,54H,24-27H2,1-5H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t35-,37-,38+,39+,40+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges.m.b.H.					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM966 (5PhBuCOOH deriv. | Statine deriv. 49 | Tle-Val-Sta...) Show SMILES CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C45H54ClN7O6/c1-28(2)37(41(55)48-26-36-49-33-18-12-13-19-34(33)50-36)52-42(56)38(47-25-30-20-22-32(46)23-21-30)39(54)35(24-29-14-8-6-9-15-29)51-43(57)40(45(3,4)5)53-44(58)59-27-31-16-10-7-11-17-31/h6-23,28,35,37-40,47,54H,24-27H2,1-5H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t35-,37-,38+,39+,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407646 (CHEMBL147096) Show SMILES CC(C)[C@H](N)C(=O)C[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1CCc2ccc(OCCOCCOCCCOCCNC(=O)[C@@H](CC1=O)C(C)C)cc2 Show InChI InChI=1S/C40H60N2O8/c1-28(2)35-27-36(43)34(39(45)32(25-31-9-6-5-7-10-31)26-37(44)38(41)29(3)4)16-13-30-11-14-33(15-12-30)50-24-23-49-22-21-48-19-8-18-47-20-17-42-40(35)46/h5-7,9-12,14-15,28-29,32,34-35,38-39,45H,8,13,16-27,41H2,1-4H3,(H,42,46)/t32-,34+,35+,38+,39-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM865 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 20 |...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCNC(=O)C(NC1=O)C(C)C)c2 |r| Show InChI InChI=1S/C40H53N5O8/c1-26(2)33-37(47)41-18-19-51-20-21-52-31-17-11-16-30(22-31)24-42-35(39(49)44-33)36(46)32(23-28-12-7-5-8-13-28)43-38(48)34(27(3)4)45-40(50)53-25-29-14-9-6-10-15-29/h5-17,22,26-27,32-36,42,46H,18-21,23-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60	-48.2	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1221 ((2R,3R,4S)-3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihy...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(OC)c(O)c2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C44H54N4O8/c1-44(2,3)41(47-37(51)22-18-28-17-21-36(56-5)34(49)24-28)43(54)46-33(23-27-11-7-6-8-12-27)40(52)39(45-26-29-15-19-31(55-4)20-16-29)42(53)48-38-32-14-10-9-13-30(32)25-35(38)50/h6-17,19-21,24,33,35,38-41,45,49-50,52H,18,22-23,25-26H2,1-5H3,(H,46,54)(H,47,51)(H,48,53)/t33-,35+,38-,39+,40+,41+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1197 (2-Aminobenzyl-Substituted AHPPA deriv. 12 | tert-b...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C37H48N6O6/c1-23(2)31(34(45)39-22-30-40-27-14-10-11-15-28(27)41-30)43-35(46)32(38-21-25-16-18-26(48-6)19-17-25)33(44)29(20-24-12-8-7-9-13-24)42-36(47)49-37(3,4)5/h7-19,23,29,31-33,38,44H,20-22H2,1-6H3,(H,39,45)(H,40,41)(H,42,47)(H,43,46)/t29-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	-48.2	510	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM866 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 29 |...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)c2 |r| Show InChI InChI=1S/C42H57N5O9/c1-28(2)35-39(49)43-18-19-53-20-21-54-22-23-55-33-17-11-16-32(24-33)26-44-37(41(51)46-35)38(48)34(25-30-12-7-5-8-13-30)45-40(50)36(29(3)4)47-42(52)56-27-31-14-9-6-10-15-31/h5-17,24,28-29,34-38,44,48H,18-23,25-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35?,36-,37+,38?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	-48.2	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407658 (CHEMBL357846) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C38H51N7O5/c1-23(2)31(35(47)41-22-30-42-27-14-10-11-15-28(27)43-30)45-36(48)32(40-21-25-16-18-26(50-6)19-17-25)33(46)29(20-24-12-8-7-9-13-24)44-37(49)34(39)38(3,4)5/h7-19,23,29,31-34,40,46H,20-22,39H2,1-6H3,(H,41,47)(H,42,43)(H,44,49)(H,45,48)/t29-,31-,32+,33+,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407698 (CHEMBL144405) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(cc2)P(O)(O)=O)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C47H60N7O9P/c1-29(2)40(44(57)49-28-38-50-35-14-10-11-15-36(35)51-38)54-45(58)41(48-27-32-16-21-33(63-6)22-17-32)42(56)37(26-31-12-8-7-9-13-31)52-46(59)43(47(3,4)5)53-39(55)25-20-30-18-23-34(24-19-30)64(60,61)62/h7-19,21-24,29,37,40-43,48,56H,20,25-28H2,1-6H3,(H,49,57)(H,50,51)(H,52,59)(H,53,55)(H,54,58)(H2,60,61,62)/t37-,40-,41+,42+,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1197 (2-Aminobenzyl-Substituted AHPPA deriv. 12 | tert-b...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r| Show InChI InChI=1S/C37H48N6O6/c1-23(2)31(34(45)39-22-30-40-27-14-10-11-15-28(27)41-30)43-35(46)32(38-21-25-16-18-26(48-6)19-17-25)33(44)29(20-24-12-8-7-9-13-24)42-36(47)49-37(3,4)5/h7-19,23,29,31-33,38,44H,20-22H2,1-6H3,(H,39,45)(H,40,41)(H,42,47)(H,43,46)/t29-,31-,32+,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SANDOZ Forschungsinstitut Ges. m.b.H Curated by ChEMBL					Assay Description Inhibitory activity was determined against HIV type 1 protease				J Med Chem 38: 4917-28 (1996) BindingDB Entry DOI: 10.7270/Q2FX7BN8
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM857 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 3 | ...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r| Show InChI InChI=1S/C40H53N5O8/c1-26(2)33-37(47)41-19-20-51-21-22-52-31-17-15-29(16-18-31)24-42-35(39(49)44-33)36(46)32(23-28-11-7-5-8-12-28)43-38(48)34(27(3)4)45-40(50)53-25-30-13-9-6-10-14-30/h5-18,26-27,32-36,42,46H,19-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33?,34-,35+,36?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.90	-48.1	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1214 ((2R,3R,4S)-4-[(2S)-3,3-dimethyl-2-{2-[(5-methyl-1,...) Show SMILES COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnc(C)s2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C39H48N6O6S2/c1-23-44-45-38(53-23)52-22-31(47)42-35(39(2,3)4)37(50)41-29(19-24-11-7-6-8-12-24)34(48)33(40-21-25-15-17-27(51-5)18-16-25)36(49)43-32-28-14-10-9-13-26(28)20-30(32)46/h6-18,29-30,32-35,40,46,48H,19-22H2,1-5H3,(H,41,50)(H,42,47)(H,43,49)/t29-,30+,32-,33+,34+,35+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 2060-7 (1996) Article DOI: 10.1021/jm9508696 BindingDB Entry DOI: 10.7270/Q2VT1Q89
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM870 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 32 |...) Show SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C |r| Show InChI InChI=1S/C41H55N5O8/c1-27(2)33-37(48)42-20-21-52-22-23-53-31-18-16-29(17-19-31)25-43-34(38(49)45-33)35(47)32(24-28-12-8-6-9-13-28)44-39(50)36(41(3,4)5)46-40(51)54-26-30-14-10-7-11-15-30/h6-19,27,32-36,43,47H,20-26H2,1-5H3,(H,42,48)(H,44,50)(H,45,49)(H,46,51)/t32-,33?,34+,35?,36+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-48.1	n/a	n/a	n/a	n/a	n/a	6.25	37
Sandoz Research Institute					Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...				J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935
					More data for this Ligand-Target Pair

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