Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50029179   

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)	BDBM50282003 ((2R,4S)-2-((R)-Benzylcarbamoyl-phenylacetylamino-m...) Show SMILES CC(C)CN1CC(O)(CNC(=O)[C@@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C37H54N6O5S/c1-24(2)21-43-23-37(48,19-27(43)31(45)42-35(3,4)5)22-39-33(47)30-36(6,7)49-34(41-30)29(32(46)38-20-26-16-12-9-13-17-26)40-28(44)18-25-14-10-8-11-15-25/h8-17,24,27,29-30,34,41,48H,18-23H2,1-7H3,(H,38,46)(H,39,47)(H,40,44)(H,42,45)/t27-,29+,30-,34+,37?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 proteinase				Bioorg Med Chem Lett 3: 1485-1491 (1993) Article DOI: 10.1016/S0960-894X(00)80004-9 BindingDB Entry DOI: 10.7270/Q2NV9J5D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282004 ((2R,4R)-2-((R)-Benzylcarbamoyl-phenylacetylamino-m...) Show SMILES CC(C)CN1CC(O)(CNC(=O)[C@H]2N[C@H](SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C37H54N6O5S/c1-24(2)21-43-23-37(48,19-27(43)31(45)42-35(3,4)5)22-39-33(47)30-36(6,7)49-34(41-30)29(32(46)38-20-26-16-12-9-13-17-26)40-28(44)18-25-14-10-8-11-15-25/h8-17,24,27,29-30,34,41,48H,18-23H2,1-7H3,(H,38,46)(H,39,47)(H,40,44)(H,42,45)/t27-,29+,30+,34+,37?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 proteinase				Bioorg Med Chem Lett 3: 1485-1491 (1993) Article DOI: 10.1016/S0960-894X(00)80004-9 BindingDB Entry DOI: 10.7270/Q2NV9J5D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282006 ((1S,4S)-4-[2-Cyclohexyl-1-((S)-3,3-dimethyl-butyry...) Show SMILES CC(C)CN1C[C@@](O)(C[C@H]1C(=O)NC(C)(C)C)[C@H](CC1CCCCC1)NC(=O)CC(C)(C)C Show InChI InChI=1S/C27H51N3O3/c1-19(2)17-30-18-27(33,15-21(30)24(32)29-26(6,7)8)22(14-20-12-10-9-11-13-20)28-23(31)16-25(3,4)5/h19-22,33H,9-18H2,1-8H3,(H,28,31)(H,29,32)/t21-,22-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 proteinase				Bioorg Med Chem Lett 3: 1485-1491 (1993) Article DOI: 10.1016/S0960-894X(00)80004-9 BindingDB Entry DOI: 10.7270/Q2NV9J5D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282005 (((S)-5-tert-Butylcarbamoyl-3-hydroxy-1-isobutyl-py...) Show SMILES CC(C)CN1CC(O)(CNC(=O)OC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C19H37N3O4/c1-13(2)10-22-12-19(25,11-20-16(24)26-18(6,7)8)9-14(22)15(23)21-17(3,4)5/h13-14,25H,9-12H2,1-8H3,(H,20,24)(H,21,23)/t14-,19?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 proteinase				Bioorg Med Chem Lett 3: 1485-1491 (1993) Article DOI: 10.1016/S0960-894X(00)80004-9 BindingDB Entry DOI: 10.7270/Q2NV9J5D
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50282002 (((R)-5-tert-Butylcarbamoyl-3-hydroxy-1-isobutyl-py...) Show SMILES CC(C)CN1CC(O)(CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C19H37N3O4/c1-13(2)10-22-12-19(25,11-20-16(24)26-18(6,7)8)9-14(22)15(23)21-17(3,4)5/h13-14,25H,9-12H2,1-8H3,(H,20,24)(H,21,23)/t14-,19?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 proteinase				Bioorg Med Chem Lett 3: 1485-1491 (1993) Article DOI: 10.1016/S0960-894X(00)80004-9 BindingDB Entry DOI: 10.7270/Q2NV9J5D
					More data for this Ligand-Target Pair