Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'sigal' and Initial = 'is'   

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)	BDBM762 (BocPhe[CHOH(CH2)3CH=CHPhCO]IleAMBI | L-687,908 | t...) Show SMILES CCC(C)C(NC(=O)[C@H](C\C=C\c1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C40H51N5O5/c1-6-27(2)36(38(48)41-26-35-42-31-22-13-14-23-32(31)43-35)45-37(47)30(21-15-20-28-16-9-7-10-17-28)25-34(46)33(24-29-18-11-8-12-19-29)44-39(49)50-40(3,4)5/h7-20,22-23,27,30,33-34,36,46H,6,21,24-26H2,1-5H3,(H,41,48)(H,42,43)(H,44,49)(H,45,47)/b20-15+/t27?,30-,33+,34+,36?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1277 (L-682, 679 analog 36 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO |r| Show InChI InChI=1S/C32H47N3O7/c1-21(2)28(30(40)33-19-25(37)20-36)35-29(39)24(16-22-12-8-6-9-13-22)18-27(38)26(17-23-14-10-7-11-15-23)34-31(41)42-32(3,4)5/h6-15,21,24-28,36-38H,16-20H2,1-5H3,(H,33,40)(H,34,41)(H,35,39)/t24-,25?,26+,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM761 (Hydroxyethylene deriv. 12 | tert-butyl N-[(2S,3S,5...) Show SMILES CCC(C)C(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C38H49N5O5/c1-6-25(2)34(36(46)39-24-33-40-29-19-13-14-20-30(29)41-33)43-35(45)28(21-26-15-9-7-10-16-26)23-32(44)31(22-27-17-11-8-12-18-27)42-37(47)48-38(3,4)5/h7-20,25,28,31-32,34,44H,6,21-24H2,1-5H3,(H,39,46)(H,40,41)(H,42,47)(H,43,45)/t25?,28-,31+,32+,34?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1276 (L-682, 679 analog 35 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO |r| Show InChI InChI=1S/C33H49N3O7/c1-6-22(2)29(31(41)34-20-26(38)21-37)36-30(40)25(17-23-13-9-7-10-14-23)19-28(39)27(18-24-15-11-8-12-16-24)35-32(42)43-33(3,4)5/h7-16,22,25-29,37-39H,6,17-21H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)/t22?,25-,26?,27+,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM760 (Hydroxyethylene deriv. 11 | tert-butyl N-[(2S,3S,5...) Show SMILES CCC(C)C(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO |r| Show InChI InChI=1S/C33H49N3O7/c1-6-22(2)29(31(41)34-20-26(38)21-37)36-30(40)25(17-23-13-9-7-10-14-23)19-28(39)27(18-24-15-11-8-12-16-24)35-32(42)43-33(3,4)5/h7-16,22,25-29,37-39H,6,17-21H2,1-5H3,(H,34,41)(H,35,42)(H,36,40)/t22?,25-,26?,27+,28+,29?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM753 (Hydroxyethylene deriv. 4 | Hydroxyethylene dipepti...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C\C=C\c1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C41H54N4O6/c1-28(2)24-35(39(49)43-34(37(42)47)26-31-20-13-8-14-21-31)44-38(48)32(23-15-22-29-16-9-6-10-17-29)27-36(46)33(25-30-18-11-7-12-19-30)45-40(50)51-41(3,4)5/h6-22,28,32-36,46H,23-27H2,1-5H3,(H2,42,47)(H,43,49)(H,44,48)(H,45,50)/b22-15+/t32-,33+,34+,35+,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1269 (L-682, 679 analog 28 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C36H47N3O5/c1-25(2)32(34(42)37-24-28-19-13-8-14-20-28)39-33(41)29(21-26-15-9-6-10-16-26)23-31(40)30(22-27-17-11-7-12-18-27)38-35(43)44-36(3,4)5/h6-20,25,29-32,40H,21-24H2,1-5H3,(H,37,42)(H,38,43)(H,39,41)/t29-,30+,31+,32+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1266 (L-682, 679 analog 25 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H52N4O6/c1-6-26(2)34(37(47)41-32(35(40)45)24-29-20-14-9-15-21-29)43-36(46)30(22-27-16-10-7-11-17-27)25-33(44)31(23-28-18-12-8-13-19-28)42-38(48)49-39(3,4)5/h7-21,26,30-34,44H,6,22-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,48)(H,43,46)/t26?,30-,31+,32+,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1275 (L-682, 679 analog 34 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO |r| Show InChI InChI=1S/C31H45N3O6/c1-21(2)27(29(38)32-16-17-35)34-28(37)24(18-22-12-8-6-9-13-22)20-26(36)25(19-23-14-10-7-11-15-23)33-30(39)40-31(3,4)5/h6-15,21,24-27,35-36H,16-20H2,1-5H3,(H,32,38)(H,33,39)(H,34,37)/t24-,25+,26+,27+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1274 (L-682, 679 analog 33 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO |r| Show InChI InChI=1S/C32H47N3O6/c1-6-22(2)28(30(39)33-17-18-36)35-29(38)25(19-23-13-9-7-10-14-23)21-27(37)26(20-24-15-11-8-12-16-24)34-31(40)41-32(3,4)5/h7-16,22,25-28,36-37H,6,17-21H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/t22?,25-,26+,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM751 (CHEMBL289195 | Hydroxyethylene dipeptide isostere ...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM751 (CHEMBL289195 | Hydroxyethylene dipeptide isostere ...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1268 (L-682, 679 analog 27 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C37H49N3O5/c1-6-26(2)33(35(43)38-25-29-20-14-9-15-21-29)40-34(42)30(22-27-16-10-7-11-17-27)24-32(41)31(23-28-18-12-8-13-19-28)39-36(44)45-37(3,4)5/h7-21,26,30-33,41H,6,22-25H2,1-5H3,(H,38,43)(H,39,44)(H,40,42)/t26?,30-,31+,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM759 (Hydroxyethylene deriv. 10 | tert-butyl N-[(2S,3S,5...) Show SMILES CCC(C)C(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C37H49N3O5/c1-6-26(2)33(35(43)38-25-29-20-14-9-15-21-29)40-34(42)30(22-27-16-10-7-11-17-27)24-32(41)31(23-28-18-12-8-13-19-28)39-36(44)45-37(3,4)5/h7-21,26,30-33,41H,6,22-25H2,1-5H3,(H,38,43)(H,39,44)(H,40,42)/t26?,30-,31+,32+,33?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1258 (L-682, 679 analog 17 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C32H39N3O5/c1-32(2,3)40-31(39)34-26(20-23-15-9-5-10-16-23)27(36)21-25(19-22-13-7-4-8-14-22)30(38)35-28(29(33)37)24-17-11-6-12-18-24/h4-18,25-28,36H,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t25-,26+,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM749 (L-364,505 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,3S...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C57H70N6O8/c1-38(2)31-47(53(67)60-46(51(58)65)34-41-25-15-8-16-26-41)61-52(66)44(32-39-21-11-6-12-22-39)37-50(64)45(33-40-23-13-7-14-24-40)59-54(68)48(35-42-27-17-9-18-28-42)62-55(69)49(36-43-29-19-10-20-30-43)63-56(70)71-57(3,4)5/h6-30,38,44-50,64H,31-37H2,1-5H3,(H2,58,65)(H,59,68)(H,60,67)(H,61,66)(H,62,69)(H,63,70)/t44-,45+,46+,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1253 (L-682, 679 analog 3 | N-[5(S)-[(tert-Butoxycarbony...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C29H41N3O5/c1-19(2)25(26(30)34)32-27(35)22(16-20-12-8-6-9-13-20)18-24(33)23(17-21-14-10-7-11-15-21)31-28(36)37-29(3,4)5/h6-15,19,22-25,33H,16-18H2,1-5H3,(H2,30,34)(H,31,36)(H,32,35)/t22-,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1267 (L-682, 679 analog 26 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C37H49N3O5/c1-26(2)21-32(35(43)38-25-29-19-13-8-14-20-29)39-34(42)30(22-27-15-9-6-10-16-27)24-33(41)31(23-28-17-11-7-12-18-28)40-36(44)45-37(3,4)5/h6-20,26,30-33,41H,21-25H2,1-5H3,(H,38,43)(H,39,42)(H,40,44)/t30-,31+,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM755 (Hydroxyethylene deriv. 6 | tert-butyl N-[(2S,3S,5R...) Show SMILES CC(C)CC(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C37H49N3O5/c1-26(2)21-32(35(43)38-25-29-19-13-8-14-20-29)39-34(42)30(22-27-15-9-6-10-16-27)24-33(41)31(23-28-17-11-7-12-18-28)40-36(44)45-37(3,4)5/h6-20,26,30-33,41H,21-25H2,1-5H3,(H,38,43)(H,39,42)(H,40,44)/t30-,31+,32?,33+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1272 (L-682, 679 analog 31 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NC(CO)Cc1ccccc1 |r| Show InChI InChI=1S/C39H53N3O6/c1-27(2)21-34(37(46)40-32(26-43)23-29-17-11-7-12-18-29)41-36(45)31(22-28-15-9-6-10-16-28)25-35(44)33(24-30-19-13-8-14-20-30)42-38(47)48-39(3,4)5/h6-20,27,31-35,43-44H,21-26H2,1-5H3,(H,40,46)(H,41,45)(H,42,47)/t31-,32?,33+,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1273 (L-682, 679 analog 32 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO |r| Show InChI InChI=1S/C32H47N3O6/c1-22(2)18-27(30(39)33-16-17-36)34-29(38)25(19-23-12-8-6-9-13-23)21-28(37)26(20-24-14-10-7-11-15-24)35-31(40)41-32(3,4)5/h6-15,22,25-28,36-37H,16-21H2,1-5H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26+,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1257 (L-682, 679 analog 16 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C30H43N3O5/c1-6-20(2)26(27(31)35)33-28(36)23(17-21-13-9-7-10-14-21)19-25(34)24(18-22-15-11-8-12-16-22)32-29(37)38-30(3,4)5/h7-16,20,23-26,34H,6,17-19H2,1-5H3,(H2,31,35)(H,32,37)(H,33,36)/t20?,23-,24+,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1280 (L-682, 679 analog 39 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C34H52N4O5/c1-24(2)30(32(41)35-19-14-20-38(6)7)37-31(40)27(21-25-15-10-8-11-16-25)23-29(39)28(22-26-17-12-9-13-18-26)36-33(42)43-34(3,4)5/h8-13,15-18,24,27-30,39H,14,19-23H2,1-7H3,(H,35,41)(H,36,42)(H,37,40)/t27-,28+,29+,30+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1259 (L-682, 679 analog 18 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C32H45N3O5/c1-32(2,3)40-31(39)34-26(20-23-15-9-5-10-16-23)27(36)21-25(19-22-13-7-4-8-14-22)30(38)35-28(29(33)37)24-17-11-6-12-18-24/h4-5,7-10,13-16,24-28,36H,6,11-12,17-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t25-,26+,27+,28+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1270 (L-682, 679 analog 29 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C39H45N3O5/c1-39(2,3)47-38(46)41-33(25-29-18-10-5-11-19-29)34(43)26-32(24-28-16-8-4-9-17-28)36(44)42-35(31-22-14-7-15-23-31)37(45)40-27-30-20-12-6-13-21-30/h4-23,32-35,43H,24-27H2,1-3H3,(H,40,45)(H,41,46)(H,42,44)/t32-,33+,34+,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM752 ((2R,4S,5S)-2-benzyl-N-[(1S)-1-{[(1S)-1-carbamoyl-2...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C40H54N4O5/c1-27(2)21-34(39(49)43-33(37(41)47)24-30-19-13-8-14-20-30)44-38(48)31(22-28-15-9-6-10-16-28)25-35(45)32(23-29-17-11-7-12-18-29)42-36(46)26-40(3,4)5/h6-20,27,31-35,45H,21-26H2,1-5H3,(H2,41,47)(H,42,46)(H,43,49)(H,44,48)/t31-,32+,33+,34+,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1255 (L-682, 679 analog 14 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C27H37N3O5/c1-18(24(28)32)29-25(33)21(15-19-11-7-5-8-12-19)17-23(31)22(16-20-13-9-6-10-14-20)30-26(34)35-27(2,3)4/h5-14,18,21-23,31H,15-17H2,1-4H3,(H2,28,32)(H,29,33)(H,30,34)/t18-,21+,22-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1279 (L-682, 679 analog 38 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C35H54N4O5/c1-8-25(2)31(33(42)36-20-15-21-39(6)7)38-32(41)28(22-26-16-11-9-12-17-26)24-30(40)29(23-27-18-13-10-14-19-27)37-34(43)44-35(3,4)5/h9-14,16-19,25,28-31,40H,8,15,20-24H2,1-7H3,(H,36,42)(H,37,43)(H,38,41)/t25?,28-,29+,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1256 (L-682, 679 analog 15 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C30H43N3O5/c1-20(2)16-25(27(31)35)32-28(36)23(17-21-12-8-6-9-13-21)19-26(34)24(18-22-14-10-7-11-15-22)33-29(37)38-30(3,4)5/h6-15,20,23-26,34H,16-19H2,1-5H3,(H2,31,35)(H,32,36)(H,33,37)/t23-,24+,25+,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM754 (Hydroxyethylene deriv. 5 | tert-butyl N-[(2S,3S,5R...) Show SMILES CC(C)CC(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C38H51N3O5/c1-27(2)23-33(36(44)39-22-21-28-15-9-6-10-16-28)40-35(43)31(24-29-17-11-7-12-18-29)26-34(42)32(25-30-19-13-8-14-20-30)41-37(45)46-38(3,4)5/h6-20,27,31-34,42H,21-26H2,1-5H3,(H,39,44)(H,40,43)(H,41,45)/t31-,32+,33?,34+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM756 (Hydroxyethylene deriv. 7 | tert-butyl N-[(2S,3S,5R...) Show SMILES CC(C)CC(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C30H43N3O5/c1-20(2)16-25(27(31)35)32-28(36)23(17-21-12-8-6-9-13-21)19-26(34)24(18-22-14-10-7-11-15-22)33-29(37)38-30(3,4)5/h6-15,20,23-26,34H,16-19H2,1-5H3,(H2,31,35)(H,32,36)(H,33,37)/t23-,24+,25?,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1271 (L-682, 679 analog 30 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C38H51N3O5/c1-27(2)23-33(36(44)39-22-21-28-15-9-6-10-16-28)40-35(43)31(24-29-17-11-7-12-18-29)26-34(42)32(25-30-19-13-8-14-20-30)41-37(45)46-38(3,4)5/h6-20,27,31-34,42H,21-26H2,1-5H3,(H,39,44)(H,40,43)(H,41,45)/t31-,32+,33+,34+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM750 (Hydroxyethylene deriv. 1 | tert-butyl N-[(1S)-1-{[...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C48H61N5O7/c1-32(2)26-40(45(57)51-39(43(49)55)29-35-22-14-8-15-23-35)52-44(56)37(27-33-18-10-6-11-19-33)31-42(54)38(28-34-20-12-7-13-21-34)50-46(58)41(30-36-24-16-9-17-25-36)53-47(59)60-48(3,4)5/h6-25,32,37-42,54H,26-31H2,1-5H3,(H2,49,55)(H,50,58)(H,51,57)(H,52,56)(H,53,59)/t37-,38+,39+,40+,41+,42+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1278 (L-682, 679 analog 37 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C |r| Show InChI InChI=1S/C35H54N4O5/c1-25(2)21-30(33(42)36-19-14-20-39(6)7)37-32(41)28(22-26-15-10-8-11-16-26)24-31(40)29(23-27-17-12-9-13-18-27)38-34(43)44-35(3,4)5/h8-13,15-18,25,28-31,40H,14,19-24H2,1-7H3,(H,36,42)(H,37,41)(H,38,43)/t28-,29+,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1281 (L-682, 679 analog 40 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CN(C)CCCNC(=O)[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C37H50N4O5/c1-37(2,3)46-36(45)39-31(25-28-18-11-7-12-19-28)32(42)26-30(24-27-16-9-6-10-17-27)34(43)40-33(29-20-13-8-14-21-29)35(44)38-22-15-23-41(4)5/h6-14,16-21,30-33,42H,15,22-26H2,1-5H3,(H,38,44)(H,39,45)(H,40,43)/t30-,31+,32+,33+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1260 (L-682, 679 analog 19 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(40)36-27(20-24-15-9-5-10-16-24)29(37)22-26(19-23-13-7-4-8-14-23)31(39)35-28(30(34)38)21-25-17-11-6-12-18-25/h4-18,26-29,37H,19-22H2,1-3H3,(H2,34,38)(H,35,39)(H,36,40)/t26-,27+,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1263 (L-682, 679 analog 22 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(N)=O |r| Show InChI InChI=1S/C35H42N4O5/c1-35(2,3)44-34(43)39-29(19-24-14-8-5-9-15-24)31(40)21-26(18-23-12-6-4-7-13-23)33(42)38-30(32(36)41)22-27-20-25-16-10-11-17-28(25)37-27/h4-17,20,26,29-31,37,40H,18-19,21-22H2,1-3H3,(H2,36,41)(H,38,42)(H,39,43)/t26-,29+,30+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1261 (L-682, 679 analog 20 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C33H47N3O5/c1-33(2,3)41-32(40)36-27(20-24-15-9-5-10-16-24)29(37)22-26(19-23-13-7-4-8-14-23)31(39)35-28(30(34)38)21-25-17-11-6-12-18-25/h4-5,7-10,13-16,25-29,37H,6,11-12,17-22H2,1-3H3,(H2,34,38)(H,35,39)(H,36,40)/t26-,27+,28+,29+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM758 (CHEMBL277034 | Hydroxyethylene deriv. 9 | tert-but...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C31H38N2O4/c1-31(2,3)37-30(36)33-27(20-24-15-9-5-10-16-24)28(34)21-26(19-23-13-7-4-8-14-23)29(35)32-22-25-17-11-6-12-18-25/h4-18,26-28,34H,19-22H2,1-3H3,(H,32,35)(H,33,36)/t26-,27+,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM757 (Hydroxyethylene deriv. 8 | tert-butyl N-[(2S,3S,5R...) Show SMILES CC(C)CCNC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C29H42N2O4/c1-21(2)16-17-30-27(33)24(18-22-12-8-6-9-13-22)20-26(32)25(19-23-14-10-7-11-15-23)31-28(34)35-29(3,4)5/h6-15,21,24-26,32H,16-20H2,1-5H3,(H,30,33)(H,31,34)/t24-,25+,26+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	5.5	30
Merck Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 1225-8 (1991) Article DOI: 10.1021/jm00107a050 BindingDB Entry DOI: 10.7270/Q2765CH1
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1254 (L-682, 679 analog 13 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C26H35N3O5/c1-26(2,3)34-25(33)29-21(15-19-12-8-5-9-13-19)22(30)16-20(24(32)28-17-23(27)31)14-18-10-6-4-7-11-18/h4-13,20-22,30H,14-17H2,1-3H3,(H2,27,31)(H,28,32)(H,29,33)/t20-,21+,22+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1262 (L-682, 679 analog 21 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C27H37N3O6/c1-27(2,3)36-26(35)30-21(15-19-12-8-5-9-13-19)23(32)16-20(14-18-10-6-4-7-11-18)25(34)29-22(17-31)24(28)33/h4-13,20-23,31-32H,14-17H2,1-3H3,(H2,28,33)(H,29,34)(H,30,35)/t20-,21+,22+,23+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	606	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1264 (L-682, 679 analog 23 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ncc[nH]1)C(N)=O |r| Show InChI InChI=1S/C30H39N5O5/c1-30(2,3)40-29(39)35-23(17-21-12-8-5-9-13-21)25(36)18-22(16-20-10-6-4-7-11-20)28(38)34-24(27(31)37)19-26-32-14-15-33-26/h4-15,22-25,36H,16-19H2,1-3H3,(H2,31,37)(H,32,33)(H,34,38)(H,35,39)/t22-,23+,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM1265 (L-682, 679 analog 24 | tert-butyl N-[(2S,3S,5R)-5-...) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C30H43N3O5/c1-20(2)16-25(27(31)35)32-28(36)23(17-21-12-8-6-9-13-21)19-26(34)24(18-22-14-10-7-11-15-22)33-29(37)38-30(3,4)5/h6-15,20,23-26,34H,16-19H2,1-5H3,(H2,31,35)(H,32,36)(H,33,37)/t23-,24+,25-,26+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	5.5	30
Merck Sharp and Dohme Research Laboratories					Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o...				J Med Chem 34: 2852-7 (1991) Article DOI: 10.1021/jm00113a025 BindingDB Entry DOI: 10.7270/Q2M906TJ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50295572 (5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...) Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
Merck, Sharp, and Dohme Research Laboratories					Assay Description The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.				J Biol Chem 264: 13572-8 (1989) BindingDB Entry DOI: 10.7270/Q29G5KDJ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM92679 (3-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol, 7) Show SMILES CC(C)NCC(O)c1cccc(O)c1 Show InChI InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
Merck, Sharp, and Dohme Research Laboratories					Assay Description The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.				J Biol Chem 264: 13572-8 (1989) BindingDB Entry DOI: 10.7270/Q29G5KDJ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM92680 (4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenol, 8) Show SMILES CC(C)NCC(O)c1ccc(O)cc1 Show InChI InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a
Merck, Sharp, and Dohme Research Laboratories					Assay Description The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.				J Biol Chem 264: 13572-8 (1989) BindingDB Entry DOI: 10.7270/Q29G5KDJ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM92678 (2-(tert-butylamino)-1-phenylethan-1-ol, 4) Show SMILES CC(C)(C)NCC(O)c1ccccc1 Show InChI InChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a
Merck, Sharp, and Dohme Research Laboratories					Assay Description The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.				J Biol Chem 264: 13572-8 (1989) BindingDB Entry DOI: 10.7270/Q29G5KDJ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM46041 (1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanone...) Show SMILES CC(C)NCC(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H15NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,12-14H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a
Merck, Sharp, and Dohme Research Laboratories					Assay Description The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.				J Biol Chem 264: 13572-8 (1989) BindingDB Entry DOI: 10.7270/Q29G5KDJ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Merck, Sharp, and Dohme Research Laboratories					Assay Description The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.				J Biol Chem 264: 13572-8 (1989) BindingDB Entry DOI: 10.7270/Q29G5KDJ
					More data for this Ligand-Target Pair

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