Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: P04584   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM1250 ((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...) Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1)C(C)(C)C |r| Show InChI InChI=1S/C36H49N7O6/c1-6-23(7-2)40-32(46)18-24(36(3,4)5)33(47)39-21-30(44)27(17-22-13-9-8-10-14-22)42-34(48)28(19-31(37)45)43-35(49)29-20-38-25-15-11-12-16-26(25)41-29/h8-16,20,23-24,27-28,30,44H,6-7,17-19,21H2,1-5H3,(H2,37,45)(H,39,47)(H,40,46)(H,42,48)(H,43,49)/t24-,27-,28-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM1249 ((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...) Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C |r| Show InChI InChI=1S/C37H50N6O6/c1-6-25(7-2)40-33(46)20-26(37(3,4)5)34(47)39-22-31(44)29(19-23-13-9-8-10-14-23)42-36(49)30(21-32(38)45)43-35(48)28-18-17-24-15-11-12-16-27(24)41-28/h8-18,25-26,29-31,44H,6-7,19-22H2,1-5H3,(H2,38,45)(H,39,47)(H,40,46)(H,42,49)(H,43,48)/t26-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM729 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...) Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r| Show InChI InChI=1S/C41H52N6O5/c1-27(2)37(45-38(49)33-16-15-30-13-9-10-14-32(30)43-33)40(51)44-34(23-28-11-7-6-8-12-28)36(48)25-47-22-19-31(52-26-29-17-20-42-21-18-29)24-35(47)39(50)46-41(3,4)5/h6-18,20-21,27,31,34-37,48H,19,22-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	-14.0	10	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 43: 1094-108 (2000) Article DOI: 10.1021/jm990336n BindingDB Entry DOI: 10.7270/Q2BZ647F
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM1248 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...) Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)C)C(C)(C)C |r| Show InChI InChI=1S/C37H52N6O5/c1-8-25(9-2)40-32(45)20-26(37(5,6)7)34(46)39-22-31(44)29(19-24-15-11-10-12-16-24)42-36(48)33(23(3)4)43-35(47)30-21-38-27-17-13-14-18-28(27)41-30/h10-18,21,23,25-26,29,31,33,44H,8-9,19-20,22H2,1-7H3,(H,39,46)(H,40,45)(H,42,48)(H,43,47)/t26-,29-,31+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM1247 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...) Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H53N5O5/c1-8-27(9-2)40-33(45)22-28(38(5,6)7)35(46)39-23-32(44)31(21-25-15-11-10-12-16-25)42-37(48)34(24(3)4)43-36(47)30-20-19-26-17-13-14-18-29(26)41-30/h10-20,24,27-28,31-32,34,44H,8-9,21-23H2,1-7H3,(H,39,46)(H,40,45)(H,42,48)(H,43,47)/t28-,31-,32+,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM1252 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...) Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)O)C(C)(C)C |r| Show InChI InChI=1S/C36H50N6O6/c1-7-24(8-2)39-31(45)19-25(36(4,5)6)33(46)38-21-30(44)28(18-23-14-10-9-11-15-23)41-35(48)32(22(3)43)42-34(47)29-20-37-26-16-12-13-17-27(26)40-29/h9-17,20,22,24-25,28,30,32,43-44H,7-8,18-19,21H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t22?,25-,28-,30+,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2)	BDBM1251 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...) Show SMILES CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)O)C(C)(C)C |r| Show InChI InChI=1S/C37H51N5O6/c1-7-26(8-2)39-32(45)21-27(37(4,5)6)34(46)38-22-31(44)30(20-24-14-10-9-11-15-24)41-36(48)33(23(3)43)42-35(47)29-19-18-25-16-12-13-17-28(25)40-29/h9-19,23,26-27,30-31,33,43-44H,7-8,20-22H2,1-6H3,(H,38,46)(H,39,45)(H,41,48)(H,42,47)/t23?,27-,30-,31+,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	5.5	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...				J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW
					More data for this Ligand-Target Pair				3D Structure (crystal)