Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50041210   

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)	BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r| Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005688 (CHEMBL3085518 | N*1*-[1-Benzyl-3-(2-tert-butylcarb...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12 Show InChI InChI=1S/C35H43N5O7/c1-35(2,3)39-33(45)27-16-10-18-40(27)34(46)31(43)25(19-22-11-5-4-6-12-22)38-32(44)26(20-29(36)41)37-30(42)21-47-28-17-9-14-23-13-7-8-15-24(23)28/h4-9,11-15,17,25-27,31,43H,10,16,18-21H2,1-3H3,(H2,36,41)(H,37,42)(H,38,44)(H,39,45)/t25-,26-,27-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.579	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005701 (CHEMBL337283 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C33H40N6O6/c1-33(2,3)38-31(44)26-14-9-17-39(26)32(45)28(41)24(18-20-10-5-4-6-11-20)36-30(43)25(19-27(34)40)37-29(42)23-16-15-21-12-7-8-13-22(21)35-23/h4-8,10-13,15-16,24-26,28,41H,9,14,17-19H2,1-3H3,(H2,34,40)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005694 (CHEMBL334985 | N*1*-[1-Benzyl-3-(2-tert-butylcarba...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1ccc2ccccc2c1 Show InChI InChI=1S/C35H43N5O7/c1-35(2,3)39-33(45)28-14-9-17-40(28)34(46)31(43)26(18-22-10-5-4-6-11-22)38-32(44)27(20-29(36)41)37-30(42)21-47-25-16-15-23-12-7-8-13-24(23)19-25/h4-8,10-13,15-16,19,26-28,31,43H,9,14,17-18,20-21H2,1-3H3,(H2,36,41)(H,37,42)(H,38,44)(H,39,45)/t26-,27-,28-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50366324 (CHEMBL1790545 | U-75875) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35+,36+,39-,40+,41-,42-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005695 (1-(2-Hydroxy-3-{3-methyl-2-[2-(naphthalen-1-yloxy)...) Show SMILES CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C36H46N4O6/c1-23(2)31(38-30(41)22-46-29-19-11-16-25-15-9-10-17-26(25)29)34(44)37-27(21-24-13-7-6-8-14-24)32(42)35(45)40-20-12-18-28(40)33(43)39-36(3,4)5/h6-11,13-17,19,23,27-28,31-32,42H,12,18,20-22H2,1-5H3,(H,37,44)(H,38,41)(H,39,43)/t27-,28+,31-,32?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407059 (CHEMBL132777) Show SMILES CC(C)(C)NC(=O)C1CCCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C34H44N6O5/c1-34(2,3)39-33(45)28-15-9-10-18-40(28)21-29(41)26(19-22-11-5-4-6-12-22)37-32(44)27(20-30(35)42)38-31(43)25-17-16-23-13-7-8-14-24(23)36-25/h4-8,11-14,16-17,26-29,41H,9-10,15,18-21H2,1-3H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27?,28?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407038 (CHEMBL1790969) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C45H55N7O8/c1-4-28(2)40(44(58)50-36(45(59)60-3)25-30-16-9-6-10-17-30)51-43(57)37-20-13-23-52(37)27-38(53)34(24-29-14-7-5-8-15-29)48-42(56)35(26-39(46)54)49-41(55)33-22-21-31-18-11-12-19-32(31)47-33/h5-12,14-19,21-22,28,34-38,40,53H,4,13,20,23-27H2,1-3H3,(H2,46,54)(H,48,56)(H,49,55)(H,50,58)(H,51,57)/t28-,34-,35-,36-,37-,38?,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407017 (CHEMBL337053) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C36H51N5O6/c1-36(2,3)40-34(45)30-19-26-16-10-11-17-27(26)21-41(30)22-31(42)28(18-24-12-6-4-7-13-24)38-33(44)29(20-32(37)43)39-35(46)47-23-25-14-8-5-9-15-25/h4-9,12-15,26-31,42H,10-11,16-23H2,1-3H3,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)/t26-,27+,28-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407051 (CHEMBL132432) Show SMILES CC(C)CCNC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C Show InChI InChI=1S/C34H46N6O5/c1-22(2)17-18-36-33(45)40(34(3,4)5)21-29(41)27(19-23-11-7-6-8-12-23)38-32(44)28(20-30(35)42)39-31(43)26-16-15-24-13-9-10-14-25(24)37-26/h6-16,22,27-29,41H,17-21H2,1-5H3,(H2,35,42)(H,36,45)(H,38,44)(H,39,43)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407024 (CHEMBL133552) Show SMILES CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C36H42N6O5/c1-36(2,3)42(35(47)38-22-25-14-8-5-9-15-25)23-31(43)29(20-24-12-6-4-7-13-24)40-34(46)30(21-32(37)44)41-33(45)28-19-18-26-16-10-11-17-27(26)39-28/h4-19,29-31,43H,20-23H2,1-3H3,(H2,37,44)(H,38,47)(H,40,46)(H,41,45)/t29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407058 (CHEMBL134160) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)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(CO)NC(C)=O)C(C)C Show InChI InChI=1S/C42H68N8O11/c1-23(2)17-29(46-40(58)32(22-51)44-26(7)52)37(55)47-31(20-35(43)54)38(56)45-28(19-27-13-10-9-11-14-27)34(53)21-50-16-12-15-33(50)41(59)48-30(18-24(3)4)39(57)49-36(25(5)6)42(60)61-8/h9-11,13-14,23-25,28-34,36,51,53H,12,15-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,58)(H,47,55)(H,48,59)(H,49,57)/t28-,29-,30-,31-,32?,33-,34+,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368412 (CHEMBL1790886) 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)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C43H56N6O9/c1-4-28(2)38(41(54)46-34(42(55)57-3)24-30-17-10-6-11-18-30)48-40(53)35-21-14-22-49(35)26-36(50)32(23-29-15-8-5-9-16-29)45-39(52)33(25-37(44)51)47-43(56)58-27-31-19-12-7-13-20-31/h5-13,15-20,28,32-36,38,50H,4,14,21-27H2,1-3H3,(H2,44,51)(H,45,52)(H,46,54)(H,47,56)(H,48,53)/t28-,32+,33+,34+,35+,36-,38+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005697 (CHEMBL3085539 | {1-[1-Benzyl-3-(2-tert-butylcarbam...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C32H44N4O6/c1-21(2)26(34-31(41)42-20-23-15-10-7-11-16-23)29(39)33-24(19-22-13-8-6-9-14-22)27(37)30(40)36-18-12-17-25(36)28(38)35-32(3,4)5/h6-11,13-16,21,24-27,37H,12,17-20H2,1-5H3,(H,33,39)(H,34,41)(H,35,38)/t24-,25+,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368293 (CHEMBL1790560) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C41H59N7O7/c1-5-27(4)36(41(54)44-23-29-16-12-13-19-43-29)48-40(53)35(26(2)3)38(51)37(50)32(20-28-14-8-6-9-15-28)47-39(52)33(21-30-22-42-25-45-30)46-34(49)24-55-31-17-10-7-11-18-31/h7,10-13,16-19,22,25-28,32-33,35-38,50-51H,5-6,8-9,14-15,20-21,23-24H2,1-4H3,(H,42,45)(H,44,54)(H,46,49)(H,47,52)(H,48,53)/t27-,32+,33+,35-,36+,37-,38-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407032 (CHEMBL129565) Show SMILES CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C36H48N6O5/c1-36(2,3)42(35(47)38-22-25-14-8-5-9-15-25)23-31(43)29(20-24-12-6-4-7-13-24)40-34(46)30(21-32(37)44)41-33(45)28-19-18-26-16-10-11-17-27(26)39-28/h4,6-7,10-13,16-19,25,29-31,43H,5,8-9,14-15,20-23H2,1-3H3,(H2,37,44)(H,38,47)(H,40,46)(H,41,45)/t29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407063 (CHEMBL335093) Show SMILES CC(C)CNC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C Show InChI InChI=1S/C33H44N6O5/c1-21(2)19-35-32(44)39(33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)37-31(43)27(18-29(34)41)38-30(42)25-16-15-23-13-9-10-14-24(23)36-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,35,44)(H,37,43)(H,38,42)/t26-,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.01	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM4215 (AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368287 (CHEMBL1790553) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H55N7O7/c1-5-22(4)30(35(49)38-18-24-13-9-10-14-37-24)42-34(48)29(21(2)3)32(46)31(45)26(15-23-11-7-6-8-12-23)41-33(47)27(40-28(44)19-43)16-25-17-36-20-39-25/h9-10,13-14,17,20-23,26-27,29-32,43,45-46H,5-8,11-12,15-16,18-19H2,1-4H3,(H,36,39)(H,38,49)(H,40,44)(H,41,47)(H,42,48)/t22-,26+,27+,29-,30+,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407065 (CHEMBL336336) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)C(O)C(O)C(Cc1cnc[nH]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H44N6O6/c1-5-21(4)28(32(43)35-17-22-11-9-10-14-34-22)38-31(42)27(20(2)3)30(41)29(40)25(15-23-16-33-19-36-23)37-26(39)18-44-24-12-7-6-8-13-24/h6-14,16,19-21,25,27-30,40-41H,5,15,17-18H2,1-4H3,(H,33,36)(H,35,43)(H,37,39)(H,38,42)/t21-,25?,27-,28+,29?,30?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407026 (CHEMBL130039) Show SMILES CC[C@H](C)[C@H](NC(=O)C(C(C)C)C(O)C(O)[C@H](CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C42H57N7O7/c1-7-27(6)37(42(55)45-22-29-15-10-11-18-44-29)49-41(54)36(26(4)5)39(52)38(51)32(19-25(2)3)48-40(53)33(20-30-21-43-24-46-30)47-35(50)23-56-34-17-12-14-28-13-8-9-16-31(28)34/h8-18,21,24-27,32-33,36-39,51-52H,7,19-20,22-23H2,1-6H3,(H,43,46)(H,45,55)(H,47,50)(H,48,53)(H,49,54)/t27-,32-,33?,36?,37-,38?,39?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368284 (CHEMBL1790567) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C46H63N7O7/c1-5-30(4)41(46(59)49-26-33-18-11-12-21-48-33)53-44(57)36(22-29(2)3)42(55)43(56)37(23-31-14-7-6-8-15-31)52-45(58)38(24-34-25-47-28-50-34)51-40(54)27-60-39-20-13-17-32-16-9-10-19-35(32)39/h9-13,16-21,25,28-31,36-38,41-43,55-56H,5-8,14-15,22-24,26-27H2,1-4H3,(H,47,50)(H,49,59)(H,51,54)(H,52,58)(H,53,57)/t30-,36-,37+,38+,41+,42-,43-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407066 (CHEMBL335916) Show SMILES CSCC(NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCC1C(=O)NC(C)(C)C Show InChI InChI=1S/C34H45N5O4S/c1-34(2,3)38-33(43)29-16-10-11-19-39(29)21-30(40)27(20-23-12-6-5-7-13-23)36-32(42)28(22-44-4)37-31(41)26-18-17-24-14-8-9-15-25(24)35-26/h5-9,12-15,17-18,27-30,40H,10-11,16,19-22H2,1-4H3,(H,36,42)(H,37,41)(H,38,43)/t27-,28?,29?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407021 (CHEMBL335379) Show SMILES CC(C)CCNC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C32H47N5O6/c1-22(2)16-17-34-30(41)37(32(3,4)5)20-27(38)25(18-23-12-8-6-9-13-23)35-29(40)26(19-28(33)39)36-31(42)43-21-24-14-10-7-11-15-24/h6-15,22,25-27,38H,16-21H2,1-5H3,(H2,33,39)(H,34,41)(H,35,40)(H,36,42)/t25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005703 (2-[2-({1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-...) 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)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C39H56N6O9/c1-6-25(4)34(37(50)43-33(24(2)3)38(51)53-5)44-36(49)30-18-13-19-45(30)22-31(46)28(20-26-14-9-7-10-15-26)41-35(48)29(21-32(40)47)42-39(52)54-23-27-16-11-8-12-17-27/h7-12,14-17,24-25,28-31,33-34,46H,6,13,18-23H2,1-5H3,(H2,40,47)(H,41,48)(H,42,52)(H,43,50)(H,44,49)/t25?,28-,29-,30+,31?,33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407041 (CHEMBL334770) Show SMILES CC(C)C[C@H](NC(=O)C(CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC1C(=O)OC(C)(C)C Show InChI InChI=1S/C34H54N6O9/c1-20(2)15-24(38-32(47)26(19-41)36-21(3)42)30(45)39-25(17-29(35)44)31(46)37-23(16-22-11-8-7-9-12-22)28(43)18-40-14-10-13-27(40)33(48)49-34(4,5)6/h7-9,11-12,20,23-28,41,43H,10,13-19H2,1-6H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,47)(H,39,45)/t23-,24-,25-,26?,27?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50011682 (Ac-Ser-Leu-Asn-Phe-HEA(S)-Pro-O-terbutyl | BDBM504...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C Show InChI InChI=1S/C34H54N6O9/c1-20(2)15-24(38-32(47)26(19-41)36-21(3)42)30(45)39-25(17-29(35)44)31(46)37-23(16-22-11-8-7-9-12-22)28(43)18-40-14-10-13-27(40)33(48)49-34(4,5)6/h7-9,11-12,20,23-28,41,43H,10,13-19H2,1-6H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,47)(H,39,45)/t23-,24+,25?,26?,27+,28-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368291 (CHEMBL1790569) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C43H59N7O7/c1-7-28(6)38(43(56)46-23-30-15-10-11-18-45-30)50-41(54)33(19-26(2)3)39(52)40(53)34(20-27(4)5)49-42(55)35(21-31-22-44-25-47-31)48-37(51)24-57-36-17-12-14-29-13-8-9-16-32(29)36/h8-18,22,25-28,33-35,38-40,52-53H,7,19-21,23-24H2,1-6H3,(H,44,47)(H,46,56)(H,48,51)(H,49,55)(H,50,54)/t28-,33-,34+,35+,38+,39-,40-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15.7	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407030 (CHEMBL335073) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(C)C Show InChI InChI=1S/C36H58N6O9/c1-21(2)17-25(32(46)41-30(22(3)4)34(48)50-8)39-33(47)27-15-12-16-42(27)20-28(43)24(18-23-13-10-9-11-14-23)38-31(45)26(19-29(37)44)40-35(49)51-36(5,6)7/h9-11,13-14,21-22,24-28,30,43H,12,15-20H2,1-8H3,(H2,37,44)(H,38,45)(H,39,47)(H,40,49)(H,41,46)/t24-,25-,26-,27-,28+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50283721 (CHEMBL93082 | {(S)-1-[(1S,2R)-1-Benzyl-3-((S)-2-te...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H45N5O6/c1-32(2,3)36-30(41)26-16-10-11-17-37(26)20-27(38)24(18-22-12-6-4-7-13-22)34-29(40)25(19-28(33)39)35-31(42)43-21-23-14-8-5-9-15-23/h4-9,12-15,24-27,38H,10-11,16-21H2,1-3H3,(H2,33,39)(H,34,40)(H,35,42)(H,36,41)/t24-,25-,26-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407037 (CHEMBL133883) Show SMILES CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCc1ccncc1 Show InChI InChI=1S/C35H41N7O5/c1-35(2,3)42(34(47)38-21-24-15-17-37-18-16-24)22-30(43)28(19-23-9-5-4-6-10-23)40-33(46)29(20-31(36)44)41-32(45)27-14-13-25-11-7-8-12-26(25)39-27/h4-18,28-30,43H,19-22H2,1-3H3,(H2,36,44)(H,38,47)(H,40,46)(H,41,45)/t28-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407057 (CHEMBL134296) Show SMILES CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C34H43N5O6/c1-34(2,3)39(32(43)36-21-25-15-9-5-10-16-25)22-29(40)27(19-24-13-7-4-8-14-24)37-31(42)28(20-30(35)41)38-33(44)45-23-26-17-11-6-12-18-26/h4-18,27-29,40H,19-23H2,1-3H3,(H2,35,41)(H,36,43)(H,37,42)(H,38,44)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005689 (BDBM50456284 | CHEMBL3085515 | {1-[1-Benzyl-3-(2-t...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H39N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407023 (CHEMBL337681) Show SMILES CC(C)(C)OC(=O)C1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C33H41N5O6/c1-33(2,3)44-32(43)27-14-9-17-38(27)20-28(39)25(18-21-10-5-4-6-11-21)36-31(42)26(19-29(34)40)37-30(41)24-16-15-22-12-7-8-13-23(22)35-24/h4-8,10-13,15-16,25-28,39H,9,14,17-20H2,1-3H3,(H2,34,40)(H,36,42)(H,37,41)/t25-,26-,27?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407014 (CHEMBL133585) Show SMILES CC(C)(C)NC(=O)C1CCCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(CC#N)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H43N5O5/c1-32(2,3)36-30(40)27-16-10-11-19-37(27)21-28(38)26(20-23-12-6-4-7-13-23)34-29(39)25(17-18-33)35-31(41)42-22-24-14-8-5-9-15-24/h4-9,12-15,25-28,38H,10-11,16-17,19-22H2,1-3H3,(H,34,39)(H,35,41)(H,36,40)/t25?,26-,27?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368290 (CHEMBL1790554) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H56N8O6/c1-5-22(4)30(35(49)39-19-24-13-9-10-14-38-24)43-34(48)29(21(2)3)32(46)31(45)26(15-23-11-7-6-8-12-23)42-33(47)27(41-28(44)17-36)16-25-18-37-20-40-25/h9-10,13-14,18,20-23,26-27,29-32,45-46H,5-8,11-12,15-17,19,36H2,1-4H3,(H,37,40)(H,39,49)(H,41,44)(H,42,47)(H,43,48)/t22-,26+,27+,29-,30+,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407035 (CHEMBL1790968) Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C39H54N6O10/c1-6-24(4)32(36(50)43-31(23(2)3)38(52)54-5)44-35(49)29-18-13-19-45(29)37(51)33(47)27(20-25-14-9-7-10-15-25)41-34(48)28(21-30(40)46)42-39(53)55-22-26-16-11-8-12-17-26/h7-12,14-17,23-24,27-29,31-33,47H,6,13,18-22H2,1-5H3,(H2,40,46)(H,41,48)(H,42,53)(H,43,50)(H,44,49)/t24-,27-,28-,29?,31-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50005700 (CHEMBL3085514 | benzyl N-[(1S)-1-{[(2S)-4-[2-(tert...) Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H43N5O7/c1-32(2,3)36-29(41)25-16-10-11-17-37(25)30(42)27(39)23(18-21-12-6-4-7-13-21)34-28(40)24(19-26(33)38)35-31(43)44-20-22-14-8-5-9-15-22/h4-9,12-15,23-25,27,39H,10-11,16-20H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t23-,24-,25-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407048 (CHEMBL3085513) Show SMILES [H][C@@]12CCCC[C@]1([H])CN([C@@H](C2)C(=O)NC(C)(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C38H48N6O6/c1-38(2,3)43-36(49)31-20-25-14-7-8-15-26(25)22-44(31)37(50)33(46)29(19-23-11-5-4-6-12-23)41-35(48)30(21-32(39)45)42-34(47)28-18-17-24-13-9-10-16-27(24)40-28/h4-6,9-13,16-18,25-26,29-31,33,46H,7-8,14-15,19-22H2,1-3H3,(H2,39,45)(H,41,48)(H,42,47)(H,43,49)/t25-,26+,29-,30-,31-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50421891 (CHEMBL48804) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C49H55N7O7/c1-3-32(2)44(49(62)52-29-36-21-12-13-24-51-36)56-47(60)39(25-33-15-6-4-7-16-33)45(58)46(59)40(26-34-17-8-5-9-18-34)55-48(61)41(27-37-28-50-31-53-37)54-43(57)30-63-42-23-14-20-35-19-10-11-22-38(35)42/h4-24,28,31-32,39-41,44-46,58-59H,3,25-27,29-30H2,1-2H3,(H,50,53)(H,52,62)(H,54,57)(H,55,61)(H,56,60)/t32-,39+,40-,41-,44-,45+,46+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407049 (CHEMBL132036) Show SMILES CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCC1CCCCC1 Show InChI InChI=1S/C34H49N5O6/c1-34(2,3)39(32(43)36-21-25-15-9-5-10-16-25)22-29(40)27(19-24-13-7-4-8-14-24)37-31(42)28(20-30(35)41)38-33(44)45-23-26-17-11-6-12-18-26/h4,6-8,11-14,17-18,25,27-29,40H,5,9-10,15-16,19-23H2,1-3H3,(H2,35,41)(H,36,43)(H,37,42)(H,38,44)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407052 (CHEMBL133022) Show SMILES CC(C)CNC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C Show InChI InChI=1S/C31H45N5O6/c1-21(2)18-33-29(40)36(31(3,4)5)19-26(37)24(16-22-12-8-6-9-13-22)34-28(39)25(17-27(32)38)35-30(41)42-20-23-14-10-7-11-15-23/h6-15,21,24-26,37H,16-20H2,1-5H3,(H2,32,38)(H,33,40)(H,34,39)(H,35,41)/t24-,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368285 (CHEMBL3085517) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)C(O)C(O)[C@H](CC1CCCCC1)NC(=O)CC1CCCCC1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C35H58N4O5/c1-5-24(4)31(35(44)37-22-27-18-12-13-19-36-27)39-34(43)30(23(2)3)33(42)32(41)28(20-25-14-8-6-9-15-25)38-29(40)21-26-16-10-7-11-17-26/h12-13,18-19,23-26,28,30-33,41-42H,5-11,14-17,20-22H2,1-4H3,(H,37,44)(H,38,40)(H,39,43)/t24-,28-,30-,31-,32?,33?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368282 (CHEMBL1790558) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1 Show InChI InChI=1S/C49H67N7O7/c1-3-32(2)44(49(62)52-29-36-21-12-13-24-51-36)56-47(60)39(25-33-15-6-4-7-16-33)45(58)46(59)40(26-34-17-8-5-9-18-34)55-48(61)41(27-37-28-50-31-53-37)54-43(57)30-63-42-23-14-20-35-19-10-11-22-38(35)42/h10-14,19-24,28,31-34,39-41,44-46,58-59H,3-9,15-18,25-27,29-30H2,1-2H3,(H,50,53)(H,52,62)(H,54,57)(H,55,61)(H,56,60)/t32-,39-,40+,41+,44+,45-,46-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50422010 (CHEMBL2304146) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)C(O)C(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C44H66N8O8/c1-10-28(6)36(42(58)47-24-30-18-14-15-19-46-30)52-41(57)35(27(4)5)38(54)37(53)32(20-26(2)3)49-40(56)34(22-31-23-45-25-48-31)50-39(55)33(21-29-16-12-11-13-17-29)51-43(59)60-44(7,8)9/h11-19,23,25-28,32-38,53-54H,10,20-22,24H2,1-9H3,(H,45,48)(H,47,58)(H,49,56)(H,50,55)(H,51,59)(H,52,57)/t28-,32+,33+,34+,35-,36+,37?,38?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407020 (CHEMBL334628) Show SMILES COC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)C1CCCN1C[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(C)C Show InChI InChI=1S/C42H68N8O11/c1-23(2)17-29(46-40(58)32(22-51)44-26(7)52)37(55)47-31(20-35(43)54)38(56)45-28(19-27-13-10-9-11-14-27)34(53)21-50-16-12-15-33(50)41(59)48-30(18-24(3)4)39(57)49-36(25(5)6)42(60)61-8/h9-11,13-14,23-25,28-34,36,51,53H,12,15-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,58)(H,47,55)(H,48,59)(H,49,57)/t28-,29-,30-,31-,32-,33?,34-,36?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407034 (CHEMBL132945) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C36H49N5O7/c1-36(2,3)40-33(45)29-19-25-16-10-11-17-26(25)21-41(29)34(46)31(43)27(18-23-12-6-4-7-13-23)38-32(44)28(20-30(37)42)39-35(47)48-22-24-14-8-5-9-15-24/h4-9,12-15,25-29,31,43H,10-11,16-22H2,1-3H3,(H2,37,42)(H,38,44)(H,39,47)(H,40,45)/t25-,26+,27-,28-,29-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84.0	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407053 (CHEMBL335056) Show SMILES CC(C)(C)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccncc1 Show InChI InChI=1S/C33H42N6O6/c1-33(2,3)39(31(43)36-20-24-14-16-35-17-15-24)21-28(40)26(18-23-10-6-4-7-11-23)37-30(42)27(19-29(34)41)38-32(44)45-22-25-12-8-5-9-13-25/h4-17,26-28,40H,18-22H2,1-3H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50407042 (CHEMBL278875) Show SMILES CCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NCC(C)C Show InChI InChI=1S/C33H44N6O5/c1-4-5-17-39(33(44)35-20-22(2)3)21-29(40)27(18-23-11-7-6-8-12-23)37-32(43)28(19-30(34)41)38-31(42)26-16-15-24-13-9-10-14-25(24)36-26/h6-16,22,27-29,40H,4-5,17-21H2,1-3H3,(H2,34,41)(H,35,44)(H,37,43)(H,38,42)/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50010500 (1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propion...) Show SMILES CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H42N4O7/c1-31(2,3)42-29(39)25-15-10-16-35(25)19-26(36)23(17-21-11-6-4-7-12-21)33-28(38)24(18-27(32)37)34-30(40)41-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,36H,10,15-20H2,1-3H3,(H2,32,37)(H,33,38)(H,34,40)/t23-,24-,25-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory potency against HIV-1 protease				J Med Chem 36: 4152-60 (1994) BindingDB Entry DOI: 10.7270/Q2PK0HCT
					More data for this Ligand-Target Pair

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