Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 1179   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9665 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C1(CCCC1)c1ccccc1 Show InChI InChI=1S/C41H54N2O5/c1-3-40(21-9-10-22-40)42(25-27-44)38(47)36-16-8-7-13-32(36)19-20-35(46)30-33-18-17-31(2)29-37(33)39(48)43(26-28-45)41(23-11-12-24-41)34-14-5-4-6-15-34/h4-8,13-18,29,35,44-46H,3,9-12,19-28,30H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of 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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	-53.7	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9674 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(OCc2cccnc2)cc1 Show InChI InChI=1S/C45H57N3O6/c1-5-45(22-8-9-23-45)48(26-28-50)42(52)40-13-7-6-12-35(40)16-19-38(51)30-36-15-14-33(2)29-41(36)43(53)47(25-27-49)44(3,4)37-17-20-39(21-18-37)54-32-34-11-10-24-46-31-34/h6-7,10-15,17-18,20-21,24,29,31,38,49-51H,5,8-9,16,19,22-23,25-28,30,32H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3414 ((2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-...) Show SMILES CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C35H39N5O5/c1-35(2,3)40-32(43)25-15-9-7-14-24(25)20-30(41)28(19-22-11-5-4-6-12-22)38-34(45)29(21-31(36)42)39-33(44)27-18-17-23-13-8-10-16-26(23)37-27/h4-18,28-30,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t28-,29-,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	-51.6	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3425 (5-chloro-2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyet...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(Cl)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C38H49ClN2O5/c1-4-38(20-10-11-21-38)41(23-25-43)35(45)33-15-9-8-12-28(33)17-19-32(44)26-29-16-18-31(39)27-34(29)36(46)40(22-24-42)37(2,3)30-13-6-5-7-14-30/h5-9,12-16,18,27,32,42-44H,4,10-11,17,19-26H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9669 (N-(1-Ethylcyclopentyl)-2-[4-[2-[(2,2-dimethyl[1,3]...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC1COC(C)(C)OC1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C44H60N2O6/c1-7-44(23-13-14-24-44)45(25-26-47)40(49)38-18-12-11-15-34(38)21-22-37(48)28-35-20-19-32(2)27-39(35)41(50)46(29-33-30-51-43(5,6)52-31-33)42(3,4)36-16-9-8-10-17-36/h8-12,15-20,27,33,37,47-48H,7,13-14,21-26,28-31H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9666 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCCC(CC)(CC)N(CCO)C(=O)c1cc(C)ccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1 Show InChI InChI=1S/C38H58N2O5/c1-6-20-37(7-2,8-3)39(23-25-41)36(45)34-27-29(5)16-17-31(34)28-32(43)19-18-30-14-10-11-15-33(30)35(44)40(24-26-42)38(9-4)21-12-13-22-38/h10-11,14-17,27,32,41-43H,6-9,12-13,18-26,28H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9673 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(O)cc1 Show InChI InChI=1S/C39H52N2O6/c1-5-39(20-8-9-21-39)41(23-25-43)36(46)34-11-7-6-10-29(34)14-17-33(45)27-30-13-12-28(2)26-35(30)37(47)40(22-24-42)38(3,4)31-15-18-32(44)19-16-31/h6-7,10-13,15-16,18-19,26,33,42-45H,5,8-9,14,17,20-25,27H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9664 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C39H52N2O5/c1-5-39(21-11-12-22-39)41(24-26-43)36(45)34-16-10-9-13-30(34)19-20-33(44)28-31-18-17-29(2)27-35(31)37(46)40(23-25-42)38(3,4)32-14-7-6-8-15-32/h6-10,13-18,27,33,42-44H,5,11-12,19-26,28H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9675 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C45H63N3O7/c1-5-45(20-8-9-21-45)48(23-28-50)42(52)40-11-7-6-10-35(40)14-17-38(51)33-36-13-12-34(2)32-41(36)43(53)47(22-27-49)44(3,4)37-15-18-39(19-16-37)55-31-26-46-24-29-54-30-25-46/h6-7,10-13,15-16,18-19,32,38,49-51H,5,8-9,14,17,20-31,33H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9670 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC(CO)CO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C41H56N2O6/c1-5-41(21-11-12-22-41)42(23-24-44)38(48)36-16-10-9-13-32(36)19-20-35(47)26-33-18-17-30(2)25-37(33)39(49)43(27-31(28-45)29-46)40(3,4)34-14-7-6-8-15-34/h6-10,13-18,25,31,35,44-47H,5,11-12,19-24,26-29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9672 (1-[2-[N-(alpha,alpha-Dimethylbenzyl)-N-(3,4-dihydr...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCC(O)CO)C(C)(C)c1ccccc1 |w:36.39| Show InChI InChI=1S/C41H56N2O6/c1-5-41(22-11-12-23-41)43(25-26-44)38(48)36-16-10-9-13-31(36)19-20-34(46)28-32-18-17-30(2)27-37(32)39(49)42(24-21-35(47)29-45)40(3,4)33-14-7-6-8-15-33/h6-10,13-18,27,34-35,44-47H,5,11-12,19-26,28-29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9663 (2-(2-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan...) Show SMILES Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C41H50N2O5/c1-30-20-21-32(37(28-30)39(48)43(25-27-45)41(4,5)34-17-10-7-11-18-34)29-35(46)23-22-31-14-12-13-19-36(31)38(47)42(24-26-44)40(2,3)33-15-8-6-9-16-33/h6-21,28,35,44-46H,22-27,29H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3423 (2-(3-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan...) Show SMILES CC(C)(N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C40H48N2O5/c1-39(2,32-17-7-5-8-18-32)41(25-27-43)37(46)35-21-13-11-15-30(35)23-24-34(45)29-31-16-12-14-22-36(31)38(47)42(26-28-44)40(3,4)33-19-9-6-10-20-33/h5-22,34,43-45H,23-29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-45.6	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9667 (2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carba...) Show SMILES CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)C1CCOCC1 Show InChI InChI=1S/C38H56N2O6/c1-5-38(18-8-9-19-38)40(21-23-42)35(44)33-11-7-6-10-29(33)14-15-32(43)27-30-13-12-28(2)26-34(30)36(45)39(20-22-41)37(3,4)31-16-24-46-25-17-31/h6-7,10-13,26,31-32,41-43H,5,8-9,14-25,27H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9671 (1-[2-[N-(alpha,alpha-dimethylbenzyl)-N-ethylcarbam...) Show SMILES CCN(C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C38H50N2O4/c1-5-38(24-14-15-25-38)40(26-27-41)36(44)33-20-12-10-16-29(33)22-23-32(42)28-30-17-11-13-21-34(30)35(43)39(6-2)37(3,4)31-18-8-7-9-19-31/h7-13,16-21,32,41-42H,5-6,14-15,22-28H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9662 (2-(4-{2-[tert-butyl(2-hydroxyethyl)carbamoyl]pheny...) Show SMILES Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C36H48N2O5/c1-26-16-17-28(32(24-26)34(43)38(21-23-40)36(5,6)29-13-8-7-9-14-29)25-30(41)19-18-27-12-10-11-15-31(27)33(42)37(20-22-39)35(2,3)4/h7-17,24,30,39-41H,18-23,25H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9660 (2-(4-{2-[(3aR,7aR)-octahydro-1H-inden-3a-yl(2-hydr...) Show SMILES [H][C@@]12CCC[C@@]1(CCCC2)N(CCO)C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C(C)(C)C |r| Show InChI InChI=1S/C35H50N2O5/c1-34(2,3)36(21-23-38)32(41)30-15-6-4-11-26(30)17-18-29(40)25-27-12-5-7-16-31(27)33(42)37(22-24-39)35-19-9-8-13-28(35)14-10-20-35/h4-7,11-12,15-16,28-29,38-40H,8-10,13-14,17-25H2,1-3H3/t28-,29?,35-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	64	-42.7	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3422 (N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)(2...) Show SMILES CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1 Show InChI InChI=1S/C35H46N2O5/c1-34(2,3)36(21-23-38)32(41)30-17-11-9-13-26(30)19-20-29(40)25-27-14-10-12-18-31(27)33(42)37(22-24-39)35(4,5)28-15-7-6-8-16-28/h6-18,29,38-40H,19-25H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	-41.8	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9656 (N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-...) Show SMILES CCCC(CC)(CC)N(CCO)C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C(C)(C)C Show InChI InChI=1S/C34H52N2O5/c1-7-20-34(8-2,9-3)36(22-24-38)32(41)30-17-13-11-15-27(30)25-28(39)19-18-26-14-10-12-16-29(26)31(40)35(21-23-37)33(4,5)6/h10-17,28,37-39H,7-9,18-25H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	110	-41.3	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9659 (N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-...) Show SMILES CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccc2ccccc2c1 Show InChI InChI=1S/C39H48N2O5/c1-38(2,3)40(22-24-42)36(45)34-16-10-8-13-29(34)19-21-33(44)27-31-15-9-11-17-35(31)37(46)41(23-25-43)39(4,5)32-20-18-28-12-6-7-14-30(28)26-32/h6-18,20,26,33,42-44H,19,21-25,27H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	145	-40.6	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9661 (N-tert-Butyl-N-(2-hydroxyethyl)-4-methyl-2-[3-hydr...) Show SMILES Cc1ccc(CCC(O)Cc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)C Show InChI InChI=1S/C36H48N2O5/c1-26-16-17-27(32(24-26)34(43)37(20-22-39)35(2,3)4)18-19-30(41)25-28-12-10-11-15-31(28)33(42)38(21-23-40)36(5,6)29-13-8-7-9-14-29/h7-17,24,30,39-41H,18-23,25H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	-40.5	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3421 (N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-...) Show SMILES CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C Show InChI InChI=1S/C30H44N2O5/c1-29(2,3)31(17-19-33)27(36)25-13-9-7-11-22(25)15-16-24(35)21-23-12-8-10-14-26(23)28(37)32(18-20-34)30(4,5)6/h7-14,24,33-35H,15-21H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	-35.4	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9657 (2-[4-[2-(tert-Butyl(2-hydroxyethyl)carbamoyl]pheny...) Show SMILES CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)Cc1ccccc1 Show InChI InChI=1S/C36H48N2O5/c1-35(2,3)37(21-23-39)33(42)31-17-11-9-15-28(31)19-20-30(41)25-29-16-10-12-18-32(29)34(43)38(22-24-40)36(4,5)26-27-13-7-6-8-14-27/h6-18,30,39-41H,19-26H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	-34.9	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM9653 (N-tert-Butyl-N-(2-hydroxyethyl-2-[[2-hydroxy-3-[2-...) Show SMILES CC(C)(C)N(CCO)C(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)N(CCO)C(C)(C)C Show InChI InChI=1S/C29H42N2O5S/c1-28(2,3)30(15-17-32)26(35)23-12-8-7-11-21(23)19-22(34)20-37-25-14-10-9-13-24(25)27(36)31(16-18-33)29(4,5)6/h7-14,22,32-34H,15-20H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	-28.2	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3401 (2-Butanol deriv. 8 | 2-[4-[2-(tert-Butylcarbamoyl)...) Show SMILES CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C Show InChI InChI=1S/C26H36N2O3/c1-25(2,3)27-23(30)21-13-9-7-11-18(21)15-16-20(29)17-19-12-8-10-14-22(19)24(31)28-26(4,5)6/h7-14,20,29H,15-17H2,1-6H3,(H,27,30)(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	-27.9	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM3420 (N-tert-Butyl-2-[[2-hydroxy-3-[2-[(2-hydroxyethyl)-...) Show SMILES CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C Show InChI InChI=1S/C27H38N2O4S/c1-26(2,3)28-24(32)22-13-9-10-14-23(22)34-18-20(31)17-19-11-7-8-12-21(19)25(33)29(15-16-30)27(4,5)6/h7-14,20,30-31H,15-18H2,1-6H3,(H,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40E+4	-26.5	n/a	n/a	n/a	n/a	n/a	5.6	37
Agouron Pharmaceuticals, Inc.					Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use...				J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG
					More data for this Ligand-Target Pair