Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'lin' and Initial = 'yc'   

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
HIV-1 protease (Human immunodeficiency virus)	BDBM586099 (BDBM50064200 | TL-3) 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	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	-52.4	n/a	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84460 (HIV-1 PR Inhibitor, compound 6) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r| Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	MMDB Article PubMed	1.70	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586090 (P3-P3' Entry 8) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	-51.6	n/a	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM84460 (HIV-1 PR Inhibitor, compound 6) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r| Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease				J Med Chem 51: 6263-70 (2008) Article DOI: 10.1021/jm800149m BindingDB Entry DOI: 10.7270/Q2MW2KZH
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84461 (HIV-1 PR Inhibitor, compound 8) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	4	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200943 (CHEMBL269769 | cyclopentyl (2S,3S)-3-[4-([4-(5-chl...) Show SMILES Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1 |r| Show InChI InChI=1S/C37H45ClN6O3/c1-27-16-17-30(38)24-34(27)43-20-18-42(19-21-43)25-33-36(26-45)44(41-40-33)35(23-29-12-6-3-7-13-29)32(22-28-10-4-2-5-11-28)39-37(46)47-31-14-8-9-15-31/h2-7,10-13,16-17,24,31-32,35,45H,8-9,14-15,18-23,25-26H2,1H3,(H,39,46)/t32-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84461 (HIV-1 PR Inhibitor, compound 8) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	9.70	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84460 (HIV-1 PR Inhibitor, compound 6) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r| Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	MMDB Article PubMed	10	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200945 (CHEMBL262751 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-d...) Show SMILES C[C@H](O)c1c(CN2CCN(CC2)c2cc(C)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C39H50N6O3/c1-28-18-19-29(2)36(24-28)44-22-20-43(21-23-44)27-35-38(30(3)46)45(42-41-35)37(26-32-14-8-5-9-15-32)34(25-31-12-6-4-7-13-31)40-39(47)48-33-16-10-11-17-33/h4-9,12-15,18-19,24,30,33-34,37,46H,10-11,16-17,20-23,25-27H2,1-3H3,(H,40,47)/t30-,34-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84461 (HIV-1 PR Inhibitor, compound 8) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	13	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200956 (CHEMBL262496 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-d...) Show SMILES Cc1ccc(C)c(c1)N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1 |r| Show InChI InChI=1S/C38H48N6O3/c1-28-17-18-29(2)35(23-28)43-21-19-42(20-22-43)26-34-37(27-45)44(41-40-34)36(25-31-13-7-4-8-14-31)33(24-30-11-5-3-6-12-30)39-38(46)47-32-15-9-10-16-32/h3-8,11-14,17-18,23,32-33,36,45H,9-10,15-16,19-22,24-27H2,1-2H3,(H,39,46)/t33-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200944 (CHEMBL407802 | cyclopentyl (2S,3S)-3-(4-((4-(5-chl...) Show SMILES C[C@H](O)c1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C38H47ClN6O3/c1-27-17-18-31(39)25-35(27)44-21-19-43(20-22-44)26-34-37(28(2)46)45(42-41-34)36(24-30-13-7-4-8-14-30)33(23-29-11-5-3-6-12-29)40-38(47)48-32-15-9-10-16-32/h3-8,11-14,17-18,25,28,32-33,36,46H,9-10,15-16,19-24,26H2,1-2H3,(H,40,47)/t28-,33-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84460 (HIV-1 PR Inhibitor, compound 6) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r| Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	MMDB Article PubMed	22	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200949 (CHEMBL262738 | cyclopentyl (2S,3S)-3-[4-([4-(5-chl...) Show SMILES Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)OC2CCCC2)CC1 |r| Show InChI InChI=1S/C36H43ClN6O2/c1-27-16-17-30(37)24-34(27)42-20-18-41(19-21-42)25-31-26-43(40-39-31)35(23-29-12-6-3-7-13-29)33(22-28-10-4-2-5-11-28)38-36(44)45-32-14-8-9-15-32/h2-7,10-13,16-17,24,26,32-33,35H,8-9,14-15,18-23,25H2,1H3,(H,38,44)/t33-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200954 (CHEMBL386849 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-D...) Show SMILES C[C@@H](O)c1c(CN2CCN(CC2)c2cc(C)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C39H50N6O3/c1-28-18-19-29(2)36(24-28)44-22-20-43(21-23-44)27-35-38(30(3)46)45(42-41-35)37(26-32-14-8-5-9-15-32)34(25-31-12-6-4-7-13-31)40-39(47)48-33-16-10-11-17-33/h4-9,12-15,18-19,24,30,33-34,37,46H,10-11,16-17,20-23,25-27H2,1-3H3,(H,40,47)/t30-,34+,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84460 (HIV-1 PR Inhibitor, compound 6) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r| Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	MMDB Article PubMed	27	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200951 (CHEMBL267645 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-d...) Show SMILES CC[C@H](O)c1c(CN2CCN(CC2)c2cc(C)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C40H52N6O3/c1-4-38(47)39-35(28-44-21-23-45(24-22-44)36-25-29(2)19-20-30(36)3)42-43-46(39)37(27-32-15-9-6-10-16-32)34(26-31-13-7-5-8-14-31)41-40(48)49-33-17-11-12-18-33/h5-10,13-16,19-20,25,33-34,37-38,47H,4,11-12,17-18,21-24,26-28H2,1-3H3,(H,41,48)/t34-,37-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200953 (CHEMBL405393 | cyclopentyl (2S,3S)-3-(4-((4-(5-chl...) Show SMILES C[C@@H](O)c1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C38H47ClN6O3/c1-27-17-18-31(39)25-35(27)44-21-19-43(20-22-44)26-34-37(28(2)46)45(42-41-34)36(24-30-13-7-4-8-14-30)33(23-29-11-5-3-6-12-29)40-38(47)48-32-15-9-10-16-32/h3-8,11-14,17-18,25,28,32-33,36,46H,9-10,15-16,19-24,26H2,1-2H3,(H,40,47)/t28-,33+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A] (Human immunodeficiency virus)	BDBM84461 (HIV-1 PR Inhibitor, compound 8) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 |r| Show InChI InChI=1S/C37H48N6O7S/c1-26(2)23-42(51(47,48)32-18-16-31(49-6)17-19-32)25-34(44)33(20-27-10-8-7-9-11-27)43-24-30(40-41-43)22-38-35(45)29-14-12-28(13-15-29)21-39-36(46)50-37(3,4)5/h7-19,24,26,33-34,44H,20-23,25H2,1-6H3,(H,38,45)(H,39,46)/t33-,34+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	30	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The inhibition activity against HIV-1 PR and three mutants (G48V, V82F, V82A)were done in 96 well microtiter plate and were assayed. Wells that show...				Chembiochem 4: 1246-8 (2003) Article DOI: 10.1002/cbic.200300724 BindingDB Entry DOI: 10.7270/Q23N21XC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200948 (CHEMBL386847 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-d...) Show SMILES Cc1ccc(C)c(c1)N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)OC2CCCC2)CC1 |r| Show InChI InChI=1S/C37H46N6O2/c1-28-17-18-29(2)35(23-28)42-21-19-41(20-22-42)26-32-27-43(40-39-32)36(25-31-13-7-4-8-14-31)34(24-30-11-5-3-6-12-30)38-37(44)45-33-15-9-10-16-33/h3-8,11-14,17-18,23,27,33-34,36H,9-10,15-16,19-22,24-26H2,1-2H3,(H,38,44)/t34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200958 (CHEMBL428624 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-d...) Show SMILES CC[C@@H](O)c1c(CN2CCN(CC2)c2cc(C)ccc2C)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r| Show InChI InChI=1S/C40H52N6O3/c1-4-38(47)39-35(28-44-21-23-45(24-22-44)36-25-29(2)19-20-30(36)3)42-43-46(39)37(27-32-15-9-6-10-16-32)34(26-31-13-7-5-8-14-31)41-40(48)49-33-17-11-12-18-33/h5-10,13-16,19-20,25,33-34,37-38,47H,4,11-12,17-18,21-24,26-28H2,1-3H3,(H,41,48)/t34-,37-,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438750 (CHEMBL2414884) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C20H26F6N2O5/c21-19(22,23)12-5-11(6-13(8-12)20(24,25)26)7-16(31)27-3-1-2-4-28-9-15(30)18(33)17(32)14(28)10-29/h5-6,8,14-15,17-18,29-30,32-33H,1-4,7,9-10H2,(H,27,31)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200950 ((R)-tetrahydrofuran-3-yl (2S,3S)-3-(4-((4-(5-chlor...) Show SMILES Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)CC1 |r| Show InChI InChI=1S/C35H41ClN6O3/c1-26-12-13-29(36)22-33(26)41-17-15-40(16-18-41)23-30-24-42(39-38-30)34(21-28-10-6-3-7-11-28)32(20-27-8-4-2-5-9-27)37-35(43)45-31-14-19-44-25-31/h2-13,22,24,31-32,34H,14-21,23,25H2,1H3,(H,37,43)/t31-,32+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200955 (CHEMBL218359 | cyclopentyl (2S,3S)-5-methyl-1-phen...) Show SMILES CC(C)C[C@H](NC(=O)OC1CCCC1)[C@H](Cc1ccccc1)n1cc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)nn1 |r| Show InChI InChI=1S/C33H43F3N6O2/c1-24(2)19-30(37-32(43)44-29-13-6-7-14-29)31(20-25-9-4-3-5-10-25)42-23-27(38-39-42)22-40-15-17-41(18-16-40)28-12-8-11-26(21-28)33(34,35)36/h3-5,8-12,21,23-24,29-31H,6-7,13-20,22H2,1-2H3,(H,37,43)/t30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200946 (CHEMBL385816 | cyclopentyl (2S,3S)-1,4-diphenyl-3-...) Show SMILES FC(F)(F)c1cccc(c1)N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)OC2CCCC2)CC1 |r| Show InChI InChI=1S/C36H41F3N6O2/c37-36(38,39)29-14-9-15-31(24-29)44-20-18-43(19-21-44)25-30-26-45(42-41-30)34(23-28-12-5-2-6-13-28)33(22-27-10-3-1-4-11-27)40-35(46)47-32-16-7-8-17-32/h1-6,9-15,24,26,32-34H,7-8,16-23,25H2,(H,40,46)/t33-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438752 (CHEMBL2414882) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-22-26-29(37)30(38)27(35)21-33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27+,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438754 (CHEMBL2414880) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)CC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C25H32N2O5/c28-15-21-24(31)25(32)22(29)14-27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438753 (CHEMBL2414881) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)C1CCc2ccccc2C1 |r| Show InChI InChI=1S/C21H32N2O5/c24-13-17-19(26)20(27)18(25)12-23(17)10-4-3-9-22-21(28)16-8-7-14-5-1-2-6-15(14)11-16/h1-2,5-6,16-20,24-27H,3-4,7-13H2,(H,22,28)/t16?,17-,18+,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438748 (CHEMBL2414879) Show SMILES COc1ccc2CCC(CC(=O)NCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c2c1 |r| Show InChI InChI=1S/C22H34N2O6/c1-30-16-7-6-14-4-5-15(17(14)11-16)10-20(27)23-8-2-3-9-24-12-19(26)22(29)21(28)18(24)13-25/h6-7,11,15,18-19,21-22,25-26,28-29H,2-5,8-10,12-13H2,1H3,(H,23,27)/t15?,18-,19+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Non-competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM18358 ((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...) Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200952 (CHEMBL407996 | N-((2S,3S)-3-(4-((4-(5-chloro-2-met...) Show SMILES Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)CC2CCCC2)CC1 |r| Show InChI InChI=1S/C37H45ClN6O/c1-28-16-17-32(38)25-35(28)43-20-18-42(19-21-43)26-33-27-44(41-40-33)36(23-30-12-6-3-7-13-30)34(22-29-10-4-2-5-11-29)39-37(45)24-31-14-8-9-15-31/h2-7,10-13,16-17,25,27,31,34,36H,8-9,14-15,18-24,26H2,1H3,(H,39,45)/t34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200947 (CHEMBL405122 | cyclopentyl (2S,3S)-3-[4-([4-(2,5-d...) Show SMILES Cc1ccc(C)c(c1)N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2[Si](C)(C)C)CC1 |r| Show InChI InChI=1S/C40H54N6O2Si/c1-30-20-21-31(2)37(26-30)45-24-22-44(23-25-45)29-36-39(49(3,4)5)46(43-42-36)38(28-33-16-10-7-11-17-33)35(27-32-14-8-6-9-15-32)41-40(47)48-34-18-12-13-19-34/h6-11,14-17,20-21,26,34-35,38H,12-13,18-19,22-25,27-29H2,1-5H3,(H,41,47)/t35-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438751 (CHEMBL2414883) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCNC(=O)COc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H26Cl2N2O6/c19-12-4-3-11(7-13(12)20)28-10-16(25)21-5-1-2-6-22-8-15(24)18(27)17(26)14(22)9-23/h3-4,7,14-15,17-18,23-24,26-27H,1-2,5-6,8-10H2,(H,21,25)/t14-,15+,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50438749 (CHEMBL2414888) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C31H38N2O5/c34-21-26-29(37)30(38)27(22-35)33(26)19-11-10-18-32-28(36)20-31(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,12-17,26-27,29-30,34-35,37-38H,10-11,18-22H2,(H,32,36)/t26-,27-,29-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Research Center Curated by ChEMBL					Assay Description Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method				Bioorg Med Chem 21: 5021-8 (2013) Article DOI: 10.1016/j.bmc.2013.06.054 BindingDB Entry DOI: 10.7270/Q2XG9SJX
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50200957 (CHEMBL216912 | [(1S,2S)-2-azido-1,2-dibenzylethyl]...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)N=[N+]=[N-] |r| Show InChI InChI=1S/C21H26N4O2/c1-21(2,3)27-20(26)23-18(14-16-10-6-4-7-11-16)19(24-25-22)15-17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3,(H,23,26)/t18-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50096449 ((S)-2-[(R)-1-((1S,2R,3R,4S)-1-Benzyl-2,3-dihydroxy...) Show SMILES CC(C)[C@@H](N[C@@H](C)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C49H63N5O9/c1-31(2)41(50-34(6)48(60)62-29-37-23-15-9-16-24-37)46(58)52-39(27-35-19-11-7-12-20-35)43(55)44(56)40(28-36-21-13-8-14-22-36)53-47(59)42(32(3)4)54-45(57)33(5)51-49(61)63-30-38-25-17-10-18-26-38/h7-26,31-34,39-44,50,55-56H,27-30H2,1-6H3,(H,51,61)(H,52,58)(H,53,59)(H,54,57)/t33-,34-,39-,40-,41+,42-,43+,44+/m0/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
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against TL3-resistant HIV(V82A) mutant				Bioorg Med Chem Lett 11: 219-22 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NW4
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM84460 (HIV-1 PR Inhibitor, compound 6) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)n1cc(COC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)nn1 |r| Show InChI InChI=1S/C34H41N5O7S/c1-23(2)19-38(47(43,44)28-15-13-27(45-3)14-16-28)21-32(41)30(17-24-9-5-4-6-10-24)39-20-26(36-37-39)22-46-34(42)35-33-29-12-8-7-11-25(29)18-31(33)40/h4-16,20,23,30-33,40-41H,17-19,21-22H2,1-3H3,(H,35,42)/t30-,31+,32+,33-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease				J Med Chem 51: 6263-70 (2008) Article DOI: 10.1021/jm800149m BindingDB Entry DOI: 10.7270/Q2MW2KZH
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586090 (P3-P3' Entry 8) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50096447 ((2R,3S)-3-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-p...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2 Show InChI InChI=1S/C43H56N6O9/c1-25(2)36-41(55)44-20-9-21-58-32-18-14-30(15-19-32)24-35(40(54)48-36)47-43(57)38(52)33(22-28-10-7-6-8-11-28)46-42(56)37(26(3)4)49-39(53)34(45-27(5)50)23-29-12-16-31(51)17-13-29/h6-8,10-19,25-26,33-38,51-52H,9,20-24H2,1-5H3,(H,44,55)(H,45,50)(H,46,56)(H,47,57)(H,48,54)(H,49,53)/t33-,34-,35-,36-,37-,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against drug-resistant HIV(G48V) mutant protease				Bioorg Med Chem Lett 11: 219-22 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NW4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50096451 ((2R,3S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2 Show InChI InChI=1S/C43H56N6O8/c1-26(2)36-41(54)44-21-12-22-57-32-19-17-31(18-20-32)25-35(40(53)48-36)47-43(56)38(51)33(23-29-13-8-6-9-14-29)46-42(55)37(27(3)4)49-39(52)34(45-28(5)50)24-30-15-10-7-11-16-30/h6-11,13-20,26-27,33-38,51H,12,21-25H2,1-5H3,(H,44,54)(H,45,50)(H,46,55)(H,47,56)(H,48,53)(H,49,52)/t33-,34-,35-,36-,37-,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against TL3-resistant HIV(L63P) mutant protease				Bioorg Med Chem Lett 11: 219-22 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NW4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50096445 ((2R,3S)-3-{(S)-2-[(S)-2-Acetylamino-3-(1H-indol-3-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2 Show InChI InChI=1S/C45H57N7O8/c1-26(2)38-43(57)46-20-11-21-60-32-18-16-30(17-19-32)23-36(41(55)51-38)50-45(59)40(54)35(22-29-12-7-6-8-13-29)49-44(58)39(27(3)4)52-42(56)37(48-28(5)53)24-31-25-47-34-15-10-9-14-33(31)34/h6-10,12-19,25-27,35-40,47,54H,11,20-24H2,1-5H3,(H,46,57)(H,48,53)(H,49,58)(H,50,59)(H,51,55)(H,52,56)/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against TL3-resistant HIV(V771) mutant				Bioorg Med Chem Lett 11: 219-22 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NW4
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586084 (P3-P3' Entry 2) Show SMILES CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586088 (P3-P3' Entry 6) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586089 (P3-P3' Entry 7) Show SMILES CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586094 (P3-P3' Entry 12) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586095 (P3-P3' Entry 13) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(o1)C(=O)c1ccccc1)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM586098 (P3-P3' Entry 16) Show SMILES CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(C)C Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.6	37
The Scripps Research Institute					Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions.				Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50096445 ((2R,3S)-3-{(S)-2-[(S)-2-Acetylamino-3-(1H-indol-3-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2 Show InChI InChI=1S/C45H57N7O8/c1-26(2)38-43(57)46-20-11-21-60-32-18-16-30(17-19-32)23-36(41(55)51-38)50-45(59)40(54)35(22-29-12-7-6-8-13-29)49-44(58)39(27(3)4)52-42(56)37(48-28(5)53)24-31-25-47-34-15-10-9-14-33(31)34/h6-10,12-19,25-27,35-40,47,54H,11,20-24H2,1-5H3,(H,46,57)(H,48,53)(H,49,58)(H,50,59)(H,51,55)(H,52,56)/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	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against TL3-resistant HIV(V82A) mutant				Bioorg Med Chem Lett 11: 219-22 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NW4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50096447 ((2R,3S)-3-{(S)-2-[(S)-2-Acetylamino-3-(4-hydroxy-p...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2 Show InChI InChI=1S/C43H56N6O9/c1-25(2)36-41(55)44-20-9-21-58-32-18-14-30(15-19-32)24-35(40(54)48-36)47-43(57)38(52)33(22-28-10-7-6-8-11-28)46-42(56)37(26(3)4)49-39(53)34(45-27(5)50)23-29-12-16-31(51)17-13-29/h6-8,10-19,25-26,33-38,51-52H,9,20-24H2,1-5H3,(H,44,55)(H,45,50)(H,46,56)(H,47,57)(H,48,54)(H,49,53)/t33-,34-,35-,36-,37-,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against drug-resistant HIV(G48V) mutant				Bioorg Med Chem Lett 11: 219-22 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NW4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50096451 ((2R,3S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(OCCCNC(=O)[C@@H](NC1=O)C(C)C)cc2 Show InChI InChI=1S/C43H56N6O8/c1-26(2)36-41(54)44-21-12-22-57-32-19-17-31(18-20-32)25-35(40(53)48-36)47-43(56)38(51)33(23-29-13-8-6-9-14-29)46-42(55)37(27(3)4)49-39(52)34(45-28(5)50)24-30-15-10-7-11-16-30/h6-11,13-20,26-27,33-38,51H,12,21-25H2,1-5H3,(H,44,54)(H,45,50)(H,46,55)(H,47,56)(H,48,53)(H,49,52)/t33-,34-,35-,36-,37-,38+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against TL3-resistant HIV(V82A) mutant				Bioorg Med Chem Lett 11: 219-22 (2001) BindingDB Entry DOI: 10.7270/Q2Q52NW4
					More data for this Ligand-Target Pair

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