Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50044024   

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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000810 (CHEMBL299659) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C39H45N3O7/c1-27(2)34(42-39(47)49-26-31-21-13-6-14-22-31)37(45)40-32(23-28-15-7-3-8-16-28)35(43)36(44)33(24-29-17-9-4-10-18-29)41-38(46)48-25-30-19-11-5-12-20-30/h3-22,27,32-36,43-44H,23-26H2,1-2H3,(H,40,45)(H,41,46)(H,42,47)/t32-,33-,34-,35+,36+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50009242 (CHEMBL48565 | {(S)-1-[(1S,2S,3R,4S)-1-Benzyl-4-((S...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000751 (CHEMBL300050) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28-,29-,30-,31-,32+,33-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000664 (CHEMBL295414) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(Cc1ccc(OCC(O)=O)cc1)C(=O)NC1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C35H42N2O8/c1-35(2,3)45-34(43)36-28(18-22-9-5-4-6-10-22)29(38)20-25(17-23-13-15-26(16-14-23)44-21-31(40)41)33(42)37-32-27-12-8-7-11-24(27)19-30(32)39/h4-16,25,28-30,32,38-39H,17-21H2,1-3H3,(H,36,43)(H,37,42)(H,40,41)/t25?,28-,29-,30+,32?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000753 (CHEMBL300968) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H54N4O8/c1-29(2)37(47-43(53)55-27-33-21-13-7-14-22-33)41(51)45-35(25-31-17-9-5-10-18-31)39(49)40(50)36(26-32-19-11-6-12-20-32)46-42(52)38(30(3)4)48-44(54)56-28-34-23-15-8-16-24-34/h5-24,29-30,35-40,49-50H,25-28H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t35-,36-,37-,38-,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000815 (CHEMBL46337) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C41H54N4O8/c1-7-27(2)36(38(49)43-33(39(50)52-6)25-30-21-15-10-16-22-30)45-37(48)32(24-29-19-13-9-14-20-29)42-35(47)26-34(46)31(23-28-17-11-8-12-18-28)44-40(51)53-41(3,4)5/h8-22,27,31-34,36,46H,7,23-26H2,1-6H3,(H,42,47)(H,43,49)(H,44,51)(H,45,48)/t27-,31-,32-,33-,34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000812 (CHEMBL52130) Show SMILES CC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C33H37F2N3O5/c1-23(2)29(38-28(39)21-36-32(42)43-22-26-16-10-5-11-17-26)31(41)37-27(20-25-14-8-4-9-15-25)30(40)33(34,35)19-18-24-12-6-3-7-13-24/h3-17,23,27,29H,18-22H2,1-2H3,(H,36,42)(H,37,41)(H,38,39)/t27-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000728 (CHEMBL301365) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccn1 Show InChI InChI=1S/C30H33F2N3O4/c1-21(2)26(35-29(38)39-20-23-13-7-4-8-14-23)28(37)34-25(19-22-11-5-3-6-12-22)27(36)30(31,32)17-16-24-15-9-10-18-33-24/h3-15,18,21,25-26H,16-17,19-20H2,1-2H3,(H,34,37)(H,35,38)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000661 (CHEMBL298303) Show SMILES NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C30H31F2N3O5/c31-30(32,17-16-21-10-4-1-5-11-21)27(37)24(18-22-12-6-2-7-13-22)34-28(38)25(19-26(33)36)35-29(39)40-20-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2,(H2,33,36)(H,34,38)(H,35,39)/t24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000757 (CHEMBL408723) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C30H33F2N3O4/c1-21(2)26(35-29(38)39-20-24-15-9-10-18-33-24)28(37)34-25(19-23-13-7-4-8-14-23)27(36)30(31,32)17-16-22-11-5-3-6-12-22/h3-15,18,21,25-26H,16-17,19-20H2,1-2H3,(H,34,37)(H,35,38)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000813 (CHEMBL52051) Show SMILES CC(C)[C@H](NC(=O)NCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C30H34F2N4O3/c1-21(2)26(36-29(39)34-20-24-15-9-10-18-33-24)28(38)35-25(19-23-13-7-4-8-14-23)27(37)30(31,32)17-16-22-11-5-3-6-12-22/h3-15,18,21,25-26H,16-17,19-20H2,1-2H3,(H,35,38)(H2,34,36,39)/t25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000730 (CHEMBL300858) Show SMILES CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C32H36F2N2O4/c1-3-23(2)28(36-31(39)40-22-26-17-11-6-12-18-26)30(38)35-27(21-25-15-9-5-10-16-25)29(37)32(33,34)20-19-24-13-7-4-8-14-24/h4-18,23,27-28H,3,19-22H2,1-2H3,(H,35,38)(H,36,39)/t23-,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000748 (CHEMBL299375) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C44H53N3O7/c1-30(2)39(46-43(51)53-28-34-21-13-7-14-22-34)38(48)27-36(25-32-17-9-5-10-18-32)41(49)37(26-33-19-11-6-12-20-33)45-42(50)40(31(3)4)47-44(52)54-29-35-23-15-8-16-24-35/h5-24,30-31,36-37,39-41,49H,25-29H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)/t36-,37+,39-,40+,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000791 (CHEMBL49288) Show SMILES CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)C[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC Show InChI InChI=1S/C46H57N3O7/c1-5-32(3)41(48-45(53)55-30-36-23-15-9-16-24-36)40(50)29-38(27-34-19-11-7-12-20-34)43(51)39(28-35-21-13-8-14-22-35)47-44(52)42(33(4)6-2)49-46(54)56-31-37-25-17-10-18-26-37/h7-26,32-33,38-39,41-43,51H,5-6,27-31H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)/t32-,33-,38+,39-,41+,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000794 (CHEMBL299376) 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](Cc1c[nH]cn1)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+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000696 (CHEMBL301833) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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 KEGG PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000811 (CHEMBL48180) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H48N4O6/c1-7-22(6)27(31(40)34-18-24-15-11-12-16-33-24)36-30(39)26(21(4)5)29(38)28(37)25(17-20(2)3)35-32(41)42-19-23-13-9-8-10-14-23/h8-16,20-22,25-29,37-38H,7,17-19H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)/t22-,25-,26+,27-,28+,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000555 (CHEMBL51463) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C31H34F2N2O4/c1-22(2)27(35-30(38)39-21-25-16-10-5-11-17-25)29(37)34-26(20-24-14-8-4-9-15-24)28(36)31(32,33)19-18-23-12-6-3-7-13-23/h3-17,22,26-27H,18-21H2,1-2H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000555 (CHEMBL51463) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1 Show InChI InChI=1S/C31H34F2N2O4/c1-22(2)27(35-30(38)39-21-25-16-10-5-11-17-25)29(37)34-26(20-24-14-8-4-9-15-24)28(36)31(32,33)19-18-23-12-6-3-7-13-23/h3-17,22,26-27H,18-21H2,1-2H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000758 (CHEMBL48770) 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](Cc1c[nH]cn1)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+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000820 (CHEMBL263523) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O Show InChI InChI=1S/C55H81N13O11/c1-10-33(6)46(51(74)65-43(53(76)77)23-37-27-58-30-61-37)67-47(70)38(32(4)5)24-45(69)39(19-31(2)3)62-49(72)41(21-35-25-56-28-59-35)63-48(71)40(20-34-15-12-11-13-16-34)64-50(73)44-17-14-18-68(44)52(75)42(22-36-26-57-29-60-36)66-54(78)79-55(7,8)9/h11-13,15-16,25-33,38-46,69H,10,14,17-24H2,1-9H3,(H,56,59)(H,57,60)(H,58,61)(H,62,72)(H,63,71)(H,64,73)(H,65,74)(H,66,78)(H,67,70)(H,76,77)/t33-,38-,39-,40-,41-,42-,43-,44+,45-,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000556 (CHEMBL51521) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)C[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C Show InChI InChI=1S/C42H63N5O7/c1-24(2)35(46-41(53)36(25(3)4)43-28(9)48)34(50)23-32(21-30-17-13-11-14-18-30)39(51)33(22-31-19-15-12-16-20-31)45-40(52)38(27(7)8)47-42(54)37(26(5)6)44-29(10)49/h11-20,24-27,32-33,35-39,51H,21-23H2,1-10H3,(H,43,48)(H,44,49)(H,45,52)(H,46,53)(H,47,54)/t32-,33+,35+,36+,37+,38+,39+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000792 (CHEMBL297931) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C39H70N8O11/c1-11-23(8)33(38(56)45-32(22(6)7)39(57)58-10)46-37(55)29-13-12-14-47(29)18-30(50)25(15-20(2)3)42-35(53)27(17-31(40)51)44-34(52)26(16-21(4)5)43-36(54)28(19-48)41-24(9)49/h20-23,25-30,32-33,48,50H,11-19H2,1-10H3,(H2,40,51)(H,41,49)(H,42,53)(H,43,54)(H,44,52)(H,45,56)(H,46,55)/t23-,25-,26-,27-,28-,29+,30-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50009257 (((1S,2R,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H40N2O6/c1-27(2,3)35-25(33)29-21(17-19-13-9-7-10-14-19)23(31)24(32)22(18-20-15-11-8-12-16-20)30-26(34)36-28(4,5)6/h7-16,21-24,31-32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-,23-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000779 (CHEMBL48693) Show SMILES CC(C)[C@H](NC(C)=O)C(=O)C[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C Show InChI InChI=1S/C32H45N3O5/c1-20(2)29(33-22(5)36)28(38)19-26(17-24-13-9-7-10-14-24)31(39)27(18-25-15-11-8-12-16-25)35-32(40)30(21(3)4)34-23(6)37/h7-16,20-21,26-27,29-31,39H,17-19H2,1-6H3,(H,33,36)(H,34,37)(H,35,40)/t26-,27+,29+,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM903 (C-terminal inhibitor 1 | methyl (2S)-2-[(2S)-2-[(4...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C |r| Show InChI InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000689 (CHEMBL297192) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C36H65N7O9/c1-11-22(8)31(35(50)41-30(21(6)7)36(51)52-10)42-34(49)27-13-12-14-43(27)18-28(45)24(15-19(2)3)39-33(48)26(17-29(37)46)40-32(47)25(16-20(4)5)38-23(9)44/h19-22,24-28,30-31,45H,11-18H2,1-10H3,(H2,37,46)(H,38,44)(H,39,48)(H,40,47)(H,41,50)(H,42,49)/t22-,24-,25-,26-,27+,28-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50421882 (CHEMBL2311136) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C39H63N7O9/c1-9-24(6)34(38(53)44-33(23(4)5)39(54)55-8)45-37(52)30-16-13-17-46(30)21-31(48)27(19-26-14-11-10-12-15-26)42-36(51)29(20-32(40)49)43-35(50)28(18-22(2)3)41-25(7)47/h10-12,14-15,22-24,27-31,33-34,48H,9,13,16-21H2,1-8H3,(H2,40,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)/t24-,27+,28+,29+,30+,31-,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000732 (CHEMBL432309) 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](Cc1c[nH]cn1)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+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000549 (CHEMBL299109) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)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+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50368642 (ACETYLPEPSTATIN) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21-24,27-28,38-39H,11-14H2,1-10H3,(H,32,40)(H,33,37)(H,34,43)(H,35,44)(H,36,45)(H,41,42)/t19-,21-,22-,23-,24-,27-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014151 (((1S,2R,3R,4S)-1-Benzyl-4-tert-butoxycarbonylamino...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H40N2O6/c1-27(2,3)35-25(33)29-21(17-19-13-9-7-10-14-19)23(31)24(32)22(18-20-15-11-8-12-16-20)30-26(34)36-28(4,5)6/h7-16,21-24,31-32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000547 (CHEMBL277655) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C46H62N6O10/c1-28(2)39(44(58)52-40(29(3)4)45(59)61-7)51-38(54)24-23-37(53)35(25-32-17-11-8-12-18-32)49-43(57)36(26-33-19-13-9-14-20-33)50-42(56)30(5)47-41(55)31(6)48-46(60)62-27-34-21-15-10-16-22-34/h8-22,28-31,35-37,39-40,53H,23-27H2,1-7H3,(H,47,55)(H,48,60)(H,49,57)(H,50,56)(H,51,54)(H,52,58)/t30-,31-,35-,36-,37-,39-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000695 (CHEMBL297492) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C Show InChI InChI=1S/C32H52N6O9/c1-17(2)26(31(45)38-27(18(3)4)32(46)47-7)37-25(41)14-13-24(40)23(15-21-11-9-8-10-12-21)36-29(43)20(6)34-28(42)19(5)35-30(44)22(33)16-39/h8-12,17-20,22-24,26-27,39-40H,13-16,33H2,1-7H3,(H,34,42)(H,35,44)(H,36,43)(H,37,41)(H,38,45)/t19-,20-,22-,23-,24-,26-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000755 (CHEMBL299667) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C30H39N3O9/c1-30(2,3)42-29(41)33-22(16-19-10-6-4-7-11-19)24(34)18-25(35)31-21(14-15-26(36)37)27(38)32-23(28(39)40)17-20-12-8-5-9-13-20/h4-13,21-24,34H,14-18H2,1-3H3,(H,31,35)(H,32,38)(H,33,41)(H,36,37)(H,39,40)/t21-,22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000731 (CHEMBL52483) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)C(CC1CCCCC1)NC(=O)[C@@H](N)C(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H55N5O4/c1-7-22(6)29(32(41)35-19-24-15-11-12-16-34-24)37-30(39)25(20(2)3)18-27(38)26(17-23-13-9-8-10-14-23)36-31(40)28(33)21(4)5/h11-12,15-16,20-23,25-29,38H,7-10,13-14,17-19,33H2,1-6H3,(H,35,41)(H,36,40)(H,37,39)/t22-,25-,26?,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000752 (CHEMBL407853) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)CC)C(O)=O Show InChI InChI=1S/C51H81N11O14S/c1-8-27(5)39(47(71)57-35(24-63)50(74)62-20-14-18-37(62)46(70)59-40(51(75)76)28(6)9-2)58-45(69)36-17-13-19-61(36)49(73)34(22-30-15-11-10-12-16-30)56-44(68)33(23-38(53)65)54-43(67)32(21-26(3)4)55-48(72)41(29(7)64)60-42(66)31(52)25-77/h10-12,15-16,26-29,31-37,39-41,63-64,77H,8-9,13-14,17-25,52H2,1-7H3,(H2,53,65)(H,54,67)(H,55,72)(H,56,68)(H,57,71)(H,58,69)(H,59,70)(H,60,66)(H,75,76)/t27-,28-,29+,31-,32-,33-,34-,35-,36-,37+,39-,40-,41-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000756 (CHEMBL265557) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C Show InChI InChI=1S/C31H50N6O10/c1-15(2)25(30(45)37-26(16(3)4)31(46)47-7)36-24(41)13-23(40)22(12-19-8-10-20(39)11-9-19)35-28(43)18(6)33-27(42)17(5)34-29(44)21(32)14-38/h8-11,15-18,21-23,25-26,38-40H,12-14,32H2,1-7H3,(H,33,42)(H,34,44)(H,35,43)(H,36,41)(H,37,45)/t17-,18-,21-,22-,23-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000738 (CHEMBL49936) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C34H48N4O8/c1-21(2)29(32(42)38-30(22(3)4)33(43)45-6)37-28(40)18-17-27(39)26(19-24-13-9-7-10-14-24)36-31(41)23(5)35-34(44)46-20-25-15-11-8-12-16-25/h7-16,21-23,26-27,29-30,39H,17-20H2,1-6H3,(H,35,44)(H,36,41)(H,37,40)(H,38,42)/t23-,26-,27-,29-,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000814 (CHEMBL433088) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H54F2N6O11/c1-18(2)25(31(50)43-26(19(3)4)32(51)54-10)44-33(52)36(37,38)27(46)23(16-22-14-12-11-13-15-22)41-29(48)21(6)39-28(47)20(5)40-30(49)24(17-45)42-34(53)55-35(7,8)9/h11-15,18-21,23-26,45H,16-17H2,1-10H3,(H,39,47)(H,40,49)(H,41,48)(H,42,53)(H,43,50)(H,44,52)/t20-,21-,23-,24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000697 (CHEMBL51680) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H58N6O12/c1-18(2)28(33(50)42-29(19(3)4)34(51)53-10)41-27(46)16-26(45)24(15-22-11-13-23(44)14-12-22)39-31(48)21(6)37-30(47)20(5)38-32(49)25(17-43)40-35(52)54-36(7,8)9/h11-14,18-21,24-26,28-29,43-45H,15-17H2,1-10H3,(H,37,47)(H,38,49)(H,39,48)(H,40,52)(H,41,46)(H,42,50)/t20-,21-,24-,25-,26-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000754 (CHEMBL300475) 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](Cc1c[nH]cn1)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+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50014153 (((1S,2S,3S,4S)-1-Benzyl-4-tert-butoxycarbonylamino...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C28H40N2O6/c1-27(2,3)35-25(33)29-21(17-19-13-9-7-10-14-19)23(31)24(32)22(18-20-15-11-8-12-16-20)30-26(34)36-28(4,5)6/h7-16,21-24,31-32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000775 (CHEMBL300428) Show SMILES CCC(C)CNC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C37H60N6O7/c1-10-24(6)19-39-35(48)30(23(4)5)32(45)31(44)27(16-22(2)3)41-34(47)29(18-26-20-38-21-40-26)42-33(46)28(17-25-14-12-11-13-15-25)43-36(49)50-37(7,8)9/h11-15,20-24,27-32,44-45H,10,16-19H2,1-9H3,(H,38,40)(H,39,48)(H,41,47)(H,42,46)(H,43,49)/t24?,27-,28-,29-,30+,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000765 (CHEMBL51362) Show SMILES CCC(C)CNC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C25H42N2O5/c1-7-18(6)14-26-24(30)21(17(4)5)23(29)22(28)20(13-16(2)3)27-25(31)32-15-19-11-9-8-10-12-19/h8-12,16-18,20-23,28-29H,7,13-15H2,1-6H3,(H,26,30)(H,27,31)/t18?,20-,21+,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	363	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000764 (CHEMBL444834) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC Show InChI InChI=1S/C37H59N7O10/c1-7-22(4)32(37(53)54-6)43-36(52)29-14-11-15-44(29)19-30(47)25(17-24-12-9-8-10-13-24)40-34(50)27(18-31(38)48)42-33(49)26(16-21(2)3)41-35(51)28(20-45)39-23(5)46/h8-10,12-13,21-22,25-30,32,45,47H,7,11,14-20H2,1-6H3,(H2,38,48)(H,39,46)(H,40,50)(H,41,51)(H,42,49)(H,43,52)/t22-,25-,26-,27-,28-,29+,30-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	417	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50000665 (CHEMBL407010) Show SMILES [H][C@@]1(CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO Show InChI InChI=1S/C35H56N6O9/c1-18(2)27(34(48)41-28(19(3)4)35(49)50-7)40-32(46)24-15-11-14-23(24)29(43)26(16-22-12-9-8-10-13-22)39-31(45)21(6)37-30(44)20(5)38-33(47)25(36)17-42/h8-10,12-13,18-21,23-29,42-43H,11,14-17,36H2,1-7H3,(H,37,44)(H,38,47)(H,39,45)(H,40,46)(H,41,48)/t20-,21-,23-,24+,25-,26-,27-,28-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Binding affinity to HIV-1 protease				J Med Chem 37: 1769-78 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q2BV7J4D
					More data for this Ligand-Target Pair

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