Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'plamondon' and Initial = 'l'   

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)	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0310	-62.4	4	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)	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	-58.7	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
Cathepsin B (Homo sapiens (Human))	BDBM50069984 ((R)-1-((S)-2-((S)-2-(benzyloxycarbonyl)-4-methylpe...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)B(O)O Show InChI InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Cathepsin B				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human Chymotrypsinogen				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin G				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069989 ((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProScript, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 8: 333-8 (1999) BindingDB Entry DOI: 10.7270/Q2RV0MVQ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM748 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...) Show SMILES Cc1cc(S[C@@H]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)[C@@H](C2)C(=O)NC(C)(C)C)nc(C)n1 |r| Show InChI InChI=1S/C36H49N5O4S/c1-23-12-11-13-24(2)34(23)45-22-32(43)39-29(19-27-14-9-8-10-15-27)31(42)21-41-17-16-28(20-30(41)35(44)40-36(5,6)7)46-33-18-25(3)37-26(4)38-33/h8-15,18,28-31,42H,16-17,19-22H2,1-7H3,(H,39,43)(H,40,44)/t28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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 [489-587] (Human immunodeficiency virus type 1)	BDBM747 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)Sc1ccncc1 |r| Show InChI InChI=1S/C35H46N4O4S/c1-24-10-9-11-25(2)33(24)43-23-32(41)37-29(20-26-12-7-6-8-13-26)31(40)22-39-19-16-28(44-27-14-17-36-18-15-27)21-30(39)34(42)38-35(3,4)5/h6-15,17-18,28-31,40H,16,19-23H2,1-5H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	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 [489-587] (Human immunodeficiency virus type 1)	BDBM746 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)SCc1cccnc1 |r| Show InChI InChI=1S/C36H48N4O4S/c1-25-11-9-12-26(2)34(25)44-23-33(42)38-30(19-27-13-7-6-8-14-27)32(41)22-40-18-16-29(45-24-28-15-10-17-37-21-28)20-31(40)35(43)39-36(3,4)5/h6-15,17,21,29-32,41H,16,18-20,22-24H2,1-5H3,(H,38,42)(H,39,43)/t29-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	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 [489-587] (Human immunodeficiency virus type 1)	BDBM745 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)SCc1ccncc1 |r| Show InChI InChI=1S/C36H48N4O4S/c1-25-10-9-11-26(2)34(25)44-23-33(42)38-30(20-27-12-7-6-8-13-27)32(41)22-40-19-16-29(45-24-28-14-17-37-18-15-28)21-31(40)35(43)39-36(3,4)5/h6-15,17-18,29-32,41H,16,19-24H2,1-5H3,(H,38,42)(H,39,43)/t29-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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 [489-587] (Human immunodeficiency virus type 1)	BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60	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				3D Structure (crystal)
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050831 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C30H52N6O9/c1-8-18(9-2)31-29(45)35-24(30(5,6)7)27(42)33-19(15-22(37)36-12-10-11-13-36)25(40)32-20(16-23(38)39)26(41)34-21(28(43)44)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,32,40)(H,33,42)(H,34,41)(H,38,39)(H,43,44)(H2,31,35,45)/t19-,20-,21-,24+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050824 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[(1-ethyl-pro...) Show SMILES CCC(CC)NC(=O)C[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C31H53N5O9/c1-8-19(9-2)32-24(37)15-20(31(5,6)7)27(41)33-21(16-25(38)36-12-10-11-13-36)28(42)34-22(17-26(39)40)29(43)35-23(30(44)45)14-18(3)4/h18-23H,8-17H2,1-7H3,(H,32,37)(H,33,41)(H,34,42)(H,35,43)(H,39,40)(H,44,45)/t20-,21+,22+,23+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050828 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[3-(...) Show SMILES CCCC(CCC)NC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C31H54N6O9/c1-7-11-20(12-8-2)32-31(46)36-26(19(5)6)29(43)34-21(16-24(38)37-13-9-10-14-37)27(41)33-22(17-25(39)40)28(42)35-23(30(44)45)15-18(3)4/h18-23,26H,7-17H2,1-6H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H,44,45)(H2,32,36,46)/t21-,22-,23-,26-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM741 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...) Show SMILES Cc1cccc(C)c1OCC(=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/C36H48N4O5/c1-25-10-9-11-26(2)34(25)45-24-33(42)38-30(20-27-12-7-6-8-13-27)32(41)22-40-19-16-29(44-23-28-14-17-37-18-15-28)21-31(40)35(43)39-36(3,4)5/h6-15,17-18,29-32,41H,16,19-24H2,1-5H3,(H,38,42)(H,39,43)/t29-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt 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	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 [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	n/a	n/a	8.40	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				3D Structure (crystal)
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050822 ((S)-2-{(S)-3-Carboxy-2-[(1-{(S)-2-[3-(1-ethyl-prop...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N1CCCC(C1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)NC)C(C)(C)C Show InChI InChI=1S/C30H52N6O9/c1-9-17(10-2)32-29(45)35-23(30(5,6)7)27(42)36-13-11-12-18(24(39)31-8)22(36)26(41)33-19(15-21(37)38)25(40)34-20(28(43)44)14-16(3)4/h16-20,22-23H,9-15H2,1-8H3,(H,31,39)(H,33,41)(H,34,40)(H,37,38)(H,43,44)(H2,32,35,45)/t18?,19-,20-,22?,23+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM743 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hy...) Show SMILES Cc1c(O)cccc1C(=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/C34H44N4O5/c1-23-27(11-8-12-30(23)39)32(41)36-28(19-24-9-6-5-7-10-24)31(40)21-38-18-15-26(43-22-25-13-16-35-17-14-25)20-29(38)33(42)37-34(2,3)4/h5-14,16-17,26,28-29,31,39-40H,15,18-22H2,1-4H3,(H,36,41)(H,37,42)/t26-,28+,29+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050826 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...) Show SMILES CCC(CC)NC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C29H50N6O9/c1-7-18(8-2)30-29(44)34-24(17(5)6)27(41)32-19(14-22(36)35-11-9-10-12-35)25(39)31-20(15-23(37)38)26(40)33-21(28(42)43)13-16(3)4/h16-21,24H,7-15H2,1-6H3,(H,31,39)(H,32,41)(H,33,40)(H,37,38)(H,42,43)(H2,30,34,44)/t19-,20-,21-,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM742 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[2-(2,6-dimethyl...) Show SMILES CC(Oc1c(C)cccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r,w:1.0| Show InChI InChI=1S/C37H50N4O5/c1-25-11-10-12-26(2)34(25)46-27(3)35(43)39-31(21-28-13-8-7-9-14-28)33(42)23-41-20-17-30(45-24-29-15-18-38-19-16-29)22-32(41)36(44)40-37(4,5)6/h7-16,18-19,27,30-33,42H,17,20-24H2,1-6H3,(H,39,43)(H,40,44)/t27?,30-,31+,32+,33-/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	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
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50033462 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C37H56N6O10/c1-21(2)18-27(37(52)53)40-34(49)26(20-30(46)47)38-33(48)25(19-29(45)43-16-10-11-17-43)39-35(50)32(23(5)6)42-36(51)31(22(3)4)41-28(44)15-14-24-12-8-7-9-13-24/h7-9,12-13,21-23,25-27,31-32H,10-11,14-20H2,1-6H3,(H,38,48)(H,39,50)(H,40,49)(H,41,44)(H,42,51)(H,46,47)(H,52,53)/t25-,26-,27-,31-,32-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050821 ((S)-2-((S)-3-Carboxy-2-{[1-{(S)-2-[3-(1-ethyl-prop...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N1CCCC(C1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N1CCCC1)C(C)(C)C Show InChI InChI=1S/C33H56N6O9/c1-8-20(9-2)34-32(48)37-26(33(5,6)7)30(45)39-16-12-13-21(29(44)38-14-10-11-15-38)25(39)28(43)35-22(18-24(40)41)27(42)36-23(31(46)47)17-19(3)4/h19-23,25-26H,8-18H2,1-7H3,(H,35,43)(H,36,42)(H,40,41)(H,46,47)(H2,34,37,48)/t21?,22-,23-,25?,26+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050821 ((S)-2-((S)-3-Carboxy-2-{[1-{(S)-2-[3-(1-ethyl-prop...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N1CCCC(C1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N1CCCC1)C(C)(C)C Show InChI InChI=1S/C33H56N6O9/c1-8-20(9-2)34-32(48)37-26(33(5,6)7)30(45)39-16-12-13-21(29(44)38-14-10-11-15-38)25(39)28(43)35-22(18-24(40)41)27(42)36-23(31(46)47)17-19(3)4/h19-23,25-26H,8-18H2,1-7H3,(H,35,43)(H,36,42)(H,40,41)(H,46,47)(H2,34,37,48)/t21?,22-,23-,25?,26+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050833 ((S)-2-[(S)-3-Carboxy-2-(2-{(S)-2-[3-(1-ethyl-propy...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)NC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C27H48N6O9/c1-9-15(10-2)29-26(42)33-21(27(5,6)7)24(39)31-16(12-19(34)28-8)22(37)30-17(13-20(35)36)23(38)32-18(25(40)41)11-14(3)4/h14-18,21H,9-13H2,1-8H3,(H,28,34)(H,30,37)(H,31,39)(H,32,38)(H,35,36)(H,40,41)(H2,29,33,42)/t16-,17-,18-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050825 ((S)-2-((S)-3-Carboxy-2-{[1-{(S)-2-[3-(1-ethyl-prop...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N1CCC([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N1CCCC1)C(C)(C)C Show InChI InChI=1S/C32H54N6O9/c1-8-19(9-2)33-31(47)36-25(32(5,6)7)29(44)38-15-12-20(28(43)37-13-10-11-14-37)24(38)27(42)34-21(17-23(39)40)26(41)35-22(30(45)46)16-18(3)4/h18-22,24-25H,8-17H2,1-7H3,(H,34,42)(H,35,41)(H,39,40)(H,45,46)(H2,33,36,47)/t20?,21-,22-,24-,25+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM738 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[2-(2-...) Show SMILES Cc1ccccc1OCC(=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/C35H46N4O5/c1-25-10-8-9-13-32(25)44-24-33(41)37-29(20-26-11-6-5-7-12-26)31(40)22-39-19-16-28(43-23-27-14-17-36-18-15-27)21-30(39)34(42)38-35(2,3)4/h5-15,17-18,28-31,40H,16,19-24H2,1-4H3,(H,37,41)(H,38,42)/t28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050834 ((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(3-ethyl-pent...) Show SMILES CCC(CC)CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C31H53N5O9/c1-8-19(9-2)15-23(37)35-26(31(5,6)7)29(43)33-20(16-24(38)36-12-10-11-13-36)27(41)32-21(17-25(39)40)28(42)34-22(30(44)45)14-18(3)4/h18-22,26H,8-17H2,1-7H3,(H,32,41)(H,33,43)(H,34,42)(H,35,37)(H,39,40)(H,44,45)/t20-,21-,22-,26+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM736 ((2-methylphenyl)methyl N-[(2S,3R)-4-[(2S,4R)-2-(te...) Show SMILES Cc1ccccc1COC(=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/C35H46N4O5/c1-25-10-8-9-13-28(25)24-44-34(42)37-30(20-26-11-6-5-7-12-26)32(40)22-39-19-16-29(43-23-27-14-17-36-18-15-27)21-31(39)33(41)38-35(2,3)4/h5-15,17-18,29-32,40H,16,19-24H2,1-4H3,(H,37,42)(H,38,41)/t29-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050835 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{3-[3-(1-ethyl-propy...) Show SMILES CCC(CC)NC(=O)NC1CCCN([C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C1=O Show InChI InChI=1S/C29H48N6O9/c1-5-18(6-2)30-29(44)33-19-10-9-13-35(27(19)41)22(16-23(36)34-11-7-8-12-34)26(40)31-20(15-24(37)38)25(39)32-21(28(42)43)14-17(3)4/h17-22H,5-16H2,1-4H3,(H,31,40)(H,32,39)(H,37,38)(H,42,43)(H2,30,33,44)/t19?,20-,21-,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM744 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(2S,4R)-2-(tert-but...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)OCc1ccncc1 |r| Show InChI InChI=1S/C31H44N4O6/c1-31(2,3)34-29(37)27-18-24(40-20-23-9-13-32-14-10-23)11-15-35(27)19-28(36)26(17-22-7-5-4-6-8-22)33-30(38)41-25-12-16-39-21-25/h4-10,13-14,24-28,36H,11-12,15-21H2,1-3H3,(H,33,38)(H,34,37)/t24-,25+,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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 [489-587] (Human immunodeficiency virus type 1)	BDBM730 (Palinavir deriv. 2 | benzyl N-[(2S,3R)-4-[(2S,4R)-...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C34H44N4O5/c1-34(2,3)37-32(40)30-21-28(42-23-27-14-17-35-18-15-27)16-19-38(30)22-31(39)29(20-25-10-6-4-7-11-25)36-33(41)43-24-26-12-8-5-9-13-26/h4-15,17-18,28-31,39H,16,19-24H2,1-3H3,(H,36,41)(H,37,40)/t28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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 [489-587] (Human immunodeficiency virus type 1)	BDBM739 ((2,6-dimethylphenyl)methyl N-[(2S,3R)-4-[(2S,4R)-2...) Show SMILES Cc1cccc(C)c1COC(=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/C36H48N4O5/c1-25-10-9-11-26(2)30(25)24-45-35(43)38-31(20-27-12-7-6-8-13-27)33(41)22-40-19-16-29(44-23-28-14-17-37-18-15-28)21-32(40)34(42)39-36(3,4)5/h6-15,17-18,29,31-33,41H,16,19-24H2,1-5H3,(H,38,43)(H,39,42)/t29-,31+,32+,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050829 ((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(3-isopropyl-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)NC(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C27H46N6O9/c1-14(2)11-19(26(40)41)31-24(38)18(13-21(35)36)29-23(37)17(12-20(34)33-9-7-8-10-33)30-25(39)22(15(3)4)32-27(42)28-16(5)6/h14-19,22H,7-13H2,1-6H3,(H,29,37)(H,30,39)(H,31,38)(H,35,36)(H,40,41)(H2,28,32,42)/t17-,18-,19-,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	435	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050830 ((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(1-ethyl-prop...) Show SMILES CCC(CC)OC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C30H51N5O10/c1-8-18(9-2)45-29(44)34-24(30(5,6)7)27(41)32-19(15-22(36)35-12-10-11-13-35)25(39)31-20(16-23(37)38)26(40)33-21(28(42)43)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,44)(H,37,38)(H,42,43)/t19-,20-,21-,24+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	635	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050819 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{2-[3-(1-ethyl-propy...) Show SMILES CCC(CC)NC(=O)NCC(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C26H44N6O9/c1-5-16(6-2)28-26(41)27-14-20(33)29-17(12-21(34)32-9-7-8-10-32)23(37)30-18(13-22(35)36)24(38)31-19(25(39)40)11-15(3)4/h15-19H,5-14H2,1-4H3,(H,29,33)(H,30,37)(H,31,38)(H,35,36)(H,39,40)(H2,27,28,41)/t17-,18-,19-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050837 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{3-[3-(1-ethyl-propy...) Show SMILES CCC(CC)NC(=O)NC1CCN([C@@H](CC(=O)N2CCCC2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C1=O Show InChI InChI=1S/C28H46N6O9/c1-5-17(6-2)29-28(43)32-18-9-12-34(26(18)40)21(15-22(35)33-10-7-8-11-33)25(39)30-19(14-23(36)37)24(38)31-20(27(41)42)13-16(3)4/h16-21H,5-15H2,1-4H3,(H,30,39)(H,31,38)(H,36,37)(H,41,42)(H2,29,32,43)/t18?,19-,20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50033460 ((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(2-ethyl-buty...) Show SMILES CCC(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C29H49N5O9/c1-7-18(8-2)25(38)33-24(17(5)6)28(41)31-19(14-22(35)34-11-9-10-12-34)26(39)30-20(15-23(36)37)27(40)32-21(29(42)43)13-16(3)4/h16-21,24H,7-15H2,1-6H3,(H,30,39)(H,31,41)(H,32,40)(H,33,38)(H,36,37)(H,42,43)/t19-,20-,21-,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50033459 ((S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-me...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C30H50N6O10/c1-15(2)12-21(30(45)46)34-27(42)20(14-23(39)40)32-26(41)19(13-22(38)36-10-8-9-11-36)33-28(43)25(17(5)6)35-29(44)24(16(3)4)31-18(7)37/h15-17,19-21,24-25H,8-14H2,1-7H3,(H,31,37)(H,32,41)(H,33,43)(H,34,42)(H,35,44)(H,39,40)(H,45,46)/t19-,20-,21-,24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM731 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-(2-phe...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C34H44N4O5/c1-34(2,3)37-33(41)30-21-28(42-23-26-14-17-35-18-15-26)16-19-38(30)22-31(39)29(20-25-10-6-4-7-11-25)36-32(40)24-43-27-12-8-5-9-13-27/h4-15,17-18,28-31,39H,16,19-24H2,1-3H3,(H,36,40)(H,37,41)/t28-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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 [489-587] (Human immunodeficiency virus type 1)	BDBM732 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C35H46N4O4/c1-35(2,3)38-34(42)31-23-29(43-25-28-16-19-36-20-17-28)18-21-39(31)24-32(40)30(22-27-12-8-5-9-13-27)37-33(41)15-14-26-10-6-4-7-11-26/h4-13,16-17,19-20,29-32,40H,14-15,18,21-25H2,1-3H3,(H,37,41)(H,38,42)/t29-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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 [489-587] (Human immunodeficiency virus type 1)	BDBM740 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-3-[3-(2,6-dimethyl...) Show SMILES Cc1cccc(C)c1CCC(=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/C37H50N4O4/c1-26-10-9-11-27(2)31(26)14-15-35(43)39-32(22-28-12-7-6-8-13-28)34(42)24-41-21-18-30(45-25-29-16-19-38-20-17-29)23-33(41)36(44)40-37(3,4)5/h6-13,16-17,19-20,30,32-34,42H,14-15,18,21-25H2,1-5H3,(H,39,43)(H,40,44)/t30-,32+,33+,34-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	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 [489-587] (Human immunodeficiency virus type 1)	BDBM737 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[3-(2-...) Show SMILES Cc1ccccc1CCC(=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/C36H48N4O4/c1-26-10-8-9-13-29(26)14-15-34(42)38-31(22-27-11-6-5-7-12-27)33(41)24-40-21-18-30(44-25-28-16-19-37-20-17-28)23-32(40)35(43)39-36(2,3)4/h5-13,16-17,19-20,30-33,41H,14-15,18,21-25H2,1-4H3,(H,38,42)(H,39,43)/t30-,31+,32+,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	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 [489-587] (Human immunodeficiency virus type 1)	BDBM733 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C34H44N4O4S/c1-34(2,3)37-33(41)30-21-27(42-23-26-14-17-35-18-15-26)16-19-38(30)22-31(39)29(20-25-10-6-4-7-11-25)36-32(40)24-43-28-12-8-5-9-13-28/h4-15,17-18,27,29-31,39H,16,19-24H2,1-3H3,(H,36,40)(H,37,41)/t27-,29+,30+,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	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 [489-587] (Human immunodeficiency virus type 1)	BDBM735 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C35H44N4O4/c1-35(2,3)38-34(42)31-23-29(43-25-28-16-19-36-20-17-28)18-21-39(31)24-32(40)30(22-27-12-8-5-9-13-27)37-33(41)15-14-26-10-6-4-7-11-26/h4-17,19-20,29-32,40H,18,21-25H2,1-3H3,(H,37,41)(H,38,42)/b15-14+/t29-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	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 [489-587] (Human immunodeficiency virus type 1)	BDBM734 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-4-phenyl...) Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1)OCc1ccncc1 |r| Show InChI InChI=1S/C36H48N4O4/c1-36(2,3)39-35(43)32-24-30(44-26-29-17-20-37-21-18-29)19-22-40(32)25-33(41)31(23-28-13-8-5-9-14-28)38-34(42)16-10-15-27-11-6-4-7-12-27/h4-9,11-14,17-18,20-21,30-33,41H,10,15-16,19,22-26H2,1-3H3,(H,38,42)(H,39,43)/t30-,31+,32+,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	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
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050820 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{2-[3-(1-ethyl-propy...) Show SMILES CCC(CC)NC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C27H46N6O9/c1-6-17(7-2)29-27(42)28-16(5)23(37)30-18(13-21(34)33-10-8-9-11-33)24(38)31-19(14-22(35)36)25(39)32-20(26(40)41)12-15(3)4/h15-20H,6-14H2,1-5H3,(H,30,37)(H,31,38)(H,32,39)(H,35,36)(H,40,41)(H2,28,29,42)/t16-,18-,19-,20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050827 ((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-3-methyl-2-(3-m...) Show SMILES CNC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C25H42N6O9/c1-13(2)10-17(24(38)39)29-22(36)16(12-19(33)34)27-21(35)15(11-18(32)31-8-6-7-9-31)28-23(37)20(14(3)4)30-25(40)26-5/h13-17,20H,6-12H2,1-5H3,(H,27,35)(H,28,37)(H,29,36)(H,33,34)(H,38,39)(H2,26,30,40)/t15-,16-,17-,20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050836 ((S)-2-{(S)-3-Carboxy-2-[(1-{(S)-2-[3-(1-ethyl-prop...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C27H47N5O8/c1-8-16(9-2)28-26(40)31-21(27(5,6)7)24(37)32-12-10-11-19(32)23(36)29-17(14-20(33)34)22(35)30-18(25(38)39)13-15(3)4/h15-19,21H,8-14H2,1-7H3,(H,29,36)(H,30,35)(H,33,34)(H,38,39)(H2,28,31,40)/t17-,18-,19-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050832 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C25H45N5O8/c1-9-15(10-2)27-24(38)30-19(25(6,7)8)22(35)26-14(5)20(33)28-16(12-18(31)32)21(34)29-17(23(36)37)11-13(3)4/h13-17,19H,9-12H2,1-8H3,(H,26,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)(H2,27,30,38)/t14-,16-,17-,19+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair

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