Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50036946   

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)	BDBM50078087 ((S)-6-[2-(4-Amino-phenyl)-ethyl]-3-(2-tert-butyl-4...) Show SMILES CC(C)[C@]1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,25,30H,11-12,15-16,29H2,1-6H3/t25?,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50409219 (CHEMBL2092879) Show SMILES CC(C)[C@]1(CCc2ccsc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C26H34O4S2/c1-16(2)26(9-7-18-8-10-31-15-18)13-21(28)23(24(29)30-26)32-22-11-17(3)19(14-27)12-20(22)25(4,5)6/h8,10-12,15-16,23,27H,7,9,13-14H2,1-6H3/t23?,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101460 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccsc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H34O4S2/c1-16(2)26(9-7-18-8-10-31-15-18)13-21(28)23(24(29)30-26)32-22-11-17(3)19(14-27)12-20(22)25(4,5)6/h8,10-12,15-16,23,27H,7,9,13-14H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101485 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2csc(CO)c2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H36O5S2/c1-16(2)27(8-7-18-10-20(14-29)33-15-18)12-22(30)24(25(31)32-27)34-23-9-17(3)19(13-28)11-21(23)26(4,5)6/h9-11,15-16,24,28-29H,7-8,12-14H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101491 (CHEMBL77497 | x3-(2-tert-Butyl-4-hydroxymethyl-5-m...) Show SMILES CC(C)C1(CCc2cncs2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C25H33NO4S2/c1-15(2)25(8-7-18-12-26-14-31-18)11-20(28)22(23(29)30-25)32-21-9-16(3)17(13-27)10-19(21)24(4,5)6/h9-10,12,14-15,22,27H,7-8,11,13H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101482 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccn[nH]2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C25H34N2O4S/c1-15(2)25(9-7-18-8-10-26-27-18)13-20(29)22(23(30)31-25)32-21-11-16(3)17(14-28)12-19(21)24(4,5)6/h8,10-12,15,22,28H,7,9,13-14H2,1-6H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101480 (CHEMBL78261 | x3-(2-tert-Butyl-4-hydroxymethyl-5-m...) Show SMILES CC(C)C1(CCc2ccoc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H34O5S/c1-16(2)26(9-7-18-8-10-30-15-18)13-21(28)23(24(29)31-26)32-22-11-17(3)19(14-27)12-20(22)25(4,5)6/h8,10-12,15-16,23,27H,7,9,13-14H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101474 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2cccs2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H34O4S2/c1-16(2)26(10-9-19-8-7-11-31-19)14-21(28)23(24(29)30-26)32-22-12-17(3)18(15-27)13-20(22)25(4,5)6/h7-8,11-13,16,23,27H,9-10,14-15H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101467 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2cscc2C)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H36O4S2/c1-16(2)27(9-8-19-15-32-14-18(19)4)12-22(29)24(25(30)31-27)33-23-10-17(3)20(13-28)11-21(23)26(5,6)7/h10-11,14-16,24,28H,8-9,12-13H2,1-7H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2536 (6-Alkyl-6-phenethyldihydropyrone 13y | 6-[2-(4-ami...) Show SMILES CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,25,30H,11-12,15-16,29H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101466 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2nc(C)cs2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H35NO4S2/c1-15(2)26(9-8-22-27-17(4)14-32-22)12-20(29)23(24(30)31-26)33-21-10-16(3)18(13-28)11-19(21)25(5,6)7/h10-11,14-15,23,28H,8-9,12-13H2,1-7H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101478 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2nccs2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C25H33NO4S2/c1-15(2)25(8-7-21-26-9-10-31-21)13-19(28)22(23(29)30-25)32-20-11-16(3)17(14-27)12-18(20)24(4,5)6/h9-12,15,22,27H,7-8,13-14H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101470 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccc(CO)s2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H36O5S2/c1-16(2)27(10-9-19-7-8-20(15-29)33-19)13-22(30)24(25(31)32-27)34-23-11-17(3)18(14-28)12-21(23)26(4,5)6/h7-8,11-12,16,24,28-29H,9-10,13-15H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101472 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2c[nH]c3ccccc23)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C30H37NO4S/c1-18(2)30(12-11-20-16-31-24-10-8-7-9-22(20)24)15-25(33)27(28(34)35-30)36-26-13-19(3)21(17-32)14-23(26)29(4,5)6/h7-10,13-14,16,18,27,31-32H,11-12,15,17H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101487 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccco2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H34O5S/c1-16(2)26(10-9-19-8-7-11-30-19)14-21(28)23(24(29)31-26)32-22-12-17(3)18(15-27)13-20(22)25(4,5)6/h7-8,11-13,16,23,27H,9-10,14-15H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101469 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)c1ncsc1CCC1(CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1)C(C)C Show InChI InChI=1S/C28H39NO4S2/c1-16(2)24-22(34-15-29-24)9-10-28(17(3)4)13-21(31)25(26(32)33-28)35-23-11-18(5)19(14-30)12-20(23)27(6,7)8/h11-12,15-17,25,30H,9-10,13-14H2,1-8H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101488 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2cccnc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H35NO4S/c1-17(2)27(10-9-19-8-7-11-28-15-19)14-22(30)24(25(31)32-27)33-23-12-18(3)20(16-29)13-21(23)26(4,5)6/h7-8,11-13,15,17,24,29H,9-10,14,16H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101456 (6-[2-(2-Amino-thiazol-4-yl)-ethyl]-3-(2-tert-butyl...) Show SMILES CC(C)C1(CCc2csc(N)n2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C25H34N2O4S2/c1-14(2)25(8-7-17-13-32-23(26)27-17)11-19(29)21(22(30)31-25)33-20-9-15(3)16(12-28)10-18(20)24(4,5)6/h9-10,13-14,21,28H,7-8,11-12H2,1-6H3,(H2,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101475 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccc3[nH]ccc3c2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C30H37NO4S/c1-18(2)30(11-9-20-7-8-24-21(14-20)10-12-31-24)16-25(33)27(28(34)35-30)36-26-13-19(3)22(17-32)15-23(26)29(4,5)6/h7-8,10,12-15,18,27,31-32H,9,11,16-17H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101462 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccccn2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H35NO4S/c1-17(2)27(11-10-20-9-7-8-12-28-20)15-22(30)24(25(31)32-27)33-23-13-18(3)19(16-29)14-21(23)26(4,5)6/h7-9,12-14,17,24,29H,10-11,15-16H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101465 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ncsc2C)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H35NO4S2/c1-15(2)26(9-8-20-17(4)32-14-27-20)12-21(29)23(24(30)31-26)33-22-10-16(3)18(13-28)11-19(22)25(5,6)7/h10-11,14-15,23,28H,8-9,12-13H2,1-7H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101476 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2cscn2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C25H33NO4S2/c1-15(2)25(8-7-18-13-31-14-26-18)11-20(28)22(23(29)30-25)32-21-9-16(3)17(12-27)10-19(21)24(4,5)6/h9-10,13-15,22,27H,7-8,11-12H2,1-6H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101490 (6-(2-Benzothiazol-2-yl-ethyl)-3-(2-tert-butyl-4-hy...) Show SMILES CC(C)C1(CCc2nc3ccccc3s2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C29H35NO4S2/c1-17(2)29(12-11-25-30-21-9-7-8-10-23(21)35-25)15-22(32)26(27(33)34-29)36-24-13-18(3)19(16-31)14-20(24)28(4,5)6/h7-10,13-14,17,26,31H,11-12,15-16H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101458 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccncc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H35NO4S/c1-17(2)27(10-7-19-8-11-28-12-9-19)15-22(30)24(25(31)32-27)33-23-13-18(3)20(16-29)14-21(23)26(4,5)6/h8-9,11-14,17,24,29H,7,10,15-16H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101464 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)c1nc(CCC2(CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)C(=O)O2)C(C)C)cs1 Show InChI InChI=1S/C28H39NO4S2/c1-16(2)25-29-20(15-34-25)9-10-28(17(3)4)13-22(31)24(26(32)33-28)35-23-11-18(5)19(14-30)12-21(23)27(6,7)8/h11-12,15-17,24,30H,9-10,13-14H2,1-8H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101463 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCC2CCCO2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H38O5S/c1-16(2)26(10-9-19-8-7-11-30-19)14-21(28)23(24(29)31-26)32-22-12-17(3)18(15-27)13-20(22)25(4,5)6/h12-13,16,19,23,27H,7-11,14-15H2,1-6H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101479 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)c1scnc1CCC1(CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1)C(C)C Show InChI InChI=1S/C28H39NO4S2/c1-16(2)24-21(29-15-34-24)9-10-28(17(3)4)13-22(31)25(26(32)33-28)35-23-11-18(5)19(14-30)12-20(23)27(6,7)8/h11-12,15-17,25,30H,9-10,13-14H2,1-8H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50369832 (CHEMBL1907857) Show SMILES CC(C)[C@@]1(CCc2ccsc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r| Show InChI InChI=1S/C26H34O4S2/c1-16(2)26(9-7-18-8-10-31-15-18)13-21(28)23(24(29)30-26)32-22-11-17(3)19(14-27)12-20(22)25(4,5)6/h8,10-12,15-16,23,27H,7,9,13-14H2,1-6H3/t23?,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101471 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2csc(C)n2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H35NO4S2/c1-15(2)26(9-8-19-14-32-17(4)27-19)12-21(29)23(24(30)31-26)33-22-10-16(3)18(13-28)11-20(22)25(5,6)7/h10-11,14-15,23,28H,8-9,12-13H2,1-7H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101457 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)c1csc(CCC2(CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)C(=O)O2)C(C)C)n1 Show InChI InChI=1S/C28H39NO4S2/c1-16(2)21-15-34-24(29-21)9-10-28(17(3)4)13-22(31)25(26(32)33-28)35-23-11-18(5)19(14-30)12-20(23)27(6,7)8/h11-12,15-17,25,30H,9-10,13-14H2,1-8H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101459 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ccsc2CO)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H36O5S2/c1-16(2)27(9-7-18-8-10-33-23(18)15-29)13-21(30)24(25(31)32-27)34-22-11-17(3)19(14-28)12-20(22)26(4,5)6/h8,10-12,16,24,28-29H,7,9,13-15H2,1-6H3	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101481 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2cncnc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H34N2O4S/c1-16(2)26(8-7-18-12-27-15-28-13-18)11-21(30)23(24(31)32-26)33-22-9-17(3)19(14-29)10-20(22)25(4,5)6/h9-10,12-13,15-16,23,29H,7-8,11,14H2,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101473 (CHEMBL431976 | N-(4-{2-[5-(2-tert-Butyl-4-hydroxym...) Show SMILES CC(C)C1(CCc2csc(NC(C)=O)n2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C27H36N2O5S2/c1-15(2)27(9-8-19-14-35-25(29-19)28-17(4)31)12-21(32)23(24(33)34-27)36-22-10-16(3)18(13-30)11-20(22)26(5,6)7/h10-11,14-15,23,30H,8-9,12-13H2,1-7H3,(H,28,29,31)	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101468 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2ncc(C)s2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C26H35NO4S2/c1-15(2)26(9-8-22-27-13-17(4)32-22)12-20(29)23(24(30)31-26)33-21-10-16(3)18(14-28)11-19(21)25(5,6)7/h10-11,13,15,23,28H,8-9,12,14H2,1-7H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2512 (3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydrox...) Show SMILES Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c1)C(C)(C)C Show InChI InChI=1S/C30H32O3S/c1-21-15-16-24(29(2,3)4)26(19-21)34-27-25(31)20-30(33-28(27)32,23-13-9-6-10-14-23)18-17-22-11-7-5-8-12-22/h5-16,19,27H,17-18,20H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50101461 (3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsul...) Show SMILES CC(C)C1(CCc2cnc[nH]2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 Show InChI InChI=1S/C25H34N2O4S/c1-15(2)25(8-7-18-12-26-14-27-18)11-20(29)22(23(30)31-25)32-21-9-16(3)17(13-28)10-19(21)24(4,5)6/h9-10,12,14-15,22,28H,7-8,11,13H2,1-6H3,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM2567 (4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-o...) Show SMILES Oc1cc(oc(=O)c1Sc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H12O3S/c18-14-11-15(12-7-3-1-4-8-12)20-17(19)16(14)21-13-9-5-2-6-10-13/h1-11,18H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description HIV-1 protease inhibition.				J Med Chem 44: 2319-32 (2001) BindingDB Entry DOI: 10.7270/Q2BK1D2T
					More data for this Ligand-Target Pair