Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50036361 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 |
|---|
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033458
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Benzyl-3-phen...)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)C(Cc1ccccc1)Cc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C44H62N6O10/c1-26(2)21-34(44(59)60)47-41(56)33(25-36(52)53)45-40(55)32(24-35(51)50-19-13-14-20-50)46-42(57)37(27(3)4)49-43(58)38(28(5)6)48-39(54)31(22-29-15-9-7-10-16-29)23-30-17-11-8-12-18-30/h7-12,15-18,26-28,31-34,37-38H,13-14,19-25H2,1-6H3,(H,45,55)(H,46,57)(H,47,56)(H,48,54)(H,49,58)(H,52,53)(H,59,60)/t32-,33-,34-,37-,38-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033457
(1-[(S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-((S...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C1(CCCC1)C(O)=O)C(O)=O Show InChI InChI=1S/C41H62N6O10/c1-24(2)22-29(39(54)55)43-38(53)34(41(40(56)57)18-10-11-19-41)46-35(50)28(23-31(49)47-20-12-13-21-47)42-36(51)33(26(5)6)45-37(52)32(25(3)4)44-30(48)17-16-27-14-8-7-9-15-27/h7-9,14-15,24-26,28-29,32-34H,10-13,16-23H2,1-6H3,(H,42,51)(H,43,53)(H,44,48)(H,45,52)(H,46,50)(H,54,55)(H,56,57)/t28-,29-,32-,33-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033463
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3,3-dimethyl-2-...)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)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)19-27(37(53)54)41-34(50)26(21-30(47)48)39-33(49)25(20-29(46)44-17-11-12-18-44)40-36(52)32(38(5,6)7)43-35(51)31(23(3)4)42-28(45)16-15-24-13-9-8-10-14-24/h8-10,13-14,22-23,25-27,31-32H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,52)(H,41,50)(H,42,45)(H,43,51)(H,47,48)(H,53,54)/t25-,26-,27-,31-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033465
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)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)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)31(42-28(45)16-15-24-13-9-8-10-14-24)36(52)43-32(23(3)4)35(51)40-25(19-29(46)44-17-11-12-18-44)33(49)39-26(20-30(47)48)34(50)41-27(37(53)54)21-38(5,6)7/h8-10,13-14,22-23,25-27,31-32H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,51)(H,41,50)(H,42,45)(H,43,52)(H,47,48)(H,53,54)/t25-,26-,27-,31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033453
(1-((S)-((S)-1-Carboxy-3-methyl-butylcarbamoyl)-{(S...)Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C1(CC=CC1)C(O)=O)C(C)(C)C |c:39| Show InChI InChI=1S/C34H55N5O9/c1-8-21(9-2)27(41)37-25(33(5,6)7)29(43)35-22(19-24(40)39-16-12-13-17-39)28(42)38-26(34(32(47)48)14-10-11-15-34)30(44)36-23(31(45)46)18-20(3)4/h10-11,20-23,25-26H,8-9,12-19H2,1-7H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,45,46)(H,47,48)/t22-,23-,25+,26+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033470
((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](C(C)C)N(C)C(=O)CCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)19-28(38(53)54)41-35(50)27(21-31(47)48)39-34(49)26(20-30(46)44-17-11-12-18-44)40-36(51)32(23(3)4)42-37(52)33(24(5)6)43(7)29(45)16-15-25-13-9-8-10-14-25/h8-10,13-14,22-24,26-28,32-33H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,51)(H,41,50)(H,42,52)(H,47,48)(H,53,54)/t26-,27-,28-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033477
((S)-2-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phe...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C41H58N6O10/c1-23(2)18-31(41(56)57)45-37(52)30(22-33(49)50)43-36(51)29(21-32(42)48)44-38(53)34(24(3)4)46-39(54)35(25(5)6)47(7)40(55)28(19-26-14-10-8-11-15-26)20-27-16-12-9-13-17-27/h8-17,23-25,28-31,34-35H,18-22H2,1-7H3,(H2,42,48)(H,43,51)(H,44,53)(H,45,52)(H,46,54)(H,49,50)(H,56,57)/t29-,30-,31-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033456
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[(S)-2-cycloh...)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)C1CCCCC1)C(C)C)C(O)=O Show InChI InChI=1S/C40H60N6O10/c1-24(2)21-30(40(55)56)43-37(52)29(23-33(49)50)41-36(51)28(22-32(48)46-19-11-12-20-46)42-38(53)34(25(3)4)45-39(54)35(27-15-9-6-10-16-27)44-31(47)18-17-26-13-7-5-8-14-26/h5,7-8,13-14,24-25,27-30,34-35H,6,9-12,15-23H2,1-4H3,(H,41,51)(H,42,53)(H,43,52)(H,44,47)(H,45,54)(H,49,50)(H,55,56)/t28-,29-,30-,34-,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033461
((S)-N-((S)-1-Hydroxymethyl-3,3-dimethyl-butyl)-3-(...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)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](CO)CC(C)(C)C Show InChI InChI=1S/C38H60N6O9/c1-23(2)32(42-29(46)16-15-25-13-9-8-10-14-25)37(53)43-33(24(3)4)36(52)41-27(19-30(47)44-17-11-12-18-44)35(51)40-28(20-31(48)49)34(50)39-26(22-45)21-38(5,6)7/h8-10,13-14,23-24,26-28,32-33,45H,11-12,15-22H2,1-7H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,53)(H,48,49)/t26-,27-,28-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033449
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[(S)-3,3-dime...)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)C(O)=O Show InChI InChI=1S/C38H58N6O10/c1-22(2)19-27(37(53)54)41-34(50)26(21-30(47)48)39-33(49)25(20-29(46)44-17-11-12-18-44)40-35(51)31(23(3)4)43-36(52)32(38(5,6)7)42-28(45)16-15-24-13-9-8-10-14-24/h8-10,13-14,22-23,25-27,31-32H,11-12,15-21H2,1-7H3,(H,39,49)(H,40,51)(H,41,50)(H,42,45)(H,43,52)(H,47,48)(H,53,54)/t25-,26-,27-,31-,32+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033455
((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(2-ethyl-buty...)Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C32H55N5O9/c1-10-19(11-2)25(39)35-23(31(5,6)7)27(41)33-20(17-22(38)37-14-12-13-15-37)26(40)36-24(32(8,9)30(45)46)28(42)34-21(29(43)44)16-18(3)4/h18-21,23-24H,10-17H2,1-9H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t20-,21-,23+,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50369049
(CHEMBL1790855)Show SMILES CC[C@H](C)[C@H](NC(=O)CCc1ccccc1)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/C38H58N6O10/c1-7-24(6)33(42-29(45)16-15-25-13-9-8-10-14-25)37(52)43-32(23(4)5)36(51)40-26(20-30(46)44-17-11-12-18-44)34(49)39-27(21-31(47)48)35(50)41-28(38(53)54)19-22(2)3/h8-10,13-14,22-24,26-28,32-33H,7,11-12,15-21H2,1-6H3,(H,39,49)(H,40,51)(H,41,50)(H,42,45)(H,43,52)(H,47,48)(H,53,54)/t24-,26-,27-,28-,32-,33-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033466
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Benzyl-3-phen...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C40H56N6O10/c1-22(2)17-30(40(55)56)44-37(52)29(21-32(48)49)42-36(51)28(20-31(41)47)43-38(53)33(23(3)4)46-39(54)34(24(5)6)45-35(50)27(18-25-13-9-7-10-14-25)19-26-15-11-8-12-16-26/h7-16,22-24,27-30,33-34H,17-21H2,1-6H3,(H2,41,47)(H,42,51)(H,43,53)(H,44,52)(H,45,50)(H,46,54)(H,48,49)(H,55,56)/t28-,29-,30-,33-,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033476
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[(S)...)Show SMILES CC[C@H](NC(=O)CCc1ccccc1)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/C36H54N6O10/c1-6-24(37-28(43)15-14-23-12-8-7-9-13-23)32(47)41-31(22(4)5)35(50)39-25(19-29(44)42-16-10-11-17-42)33(48)38-26(20-30(45)46)34(49)40-27(36(51)52)18-21(2)3/h7-9,12-13,21-22,24-27,31H,6,10-11,14-20H2,1-5H3,(H,37,43)(H,38,48)(H,39,50)(H,40,49)(H,41,47)(H,45,46)(H,51,52)/t24-,25-,26-,27-,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033475
((S)-2-[(S)-2-((S)-3-Carbamoyl-2-{(S)-3-methyl-2-[(...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)Cc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C34H52N6O10/c1-17(2)13-24(34(49)50)38-31(46)23(16-26(42)43)36-30(45)22(15-25(35)41)37-32(47)27(18(3)4)40-33(48)28(19(5)6)39-29(44)20(7)14-21-11-9-8-10-12-21/h8-12,17-20,22-24,27-28H,13-16H2,1-7H3,(H2,35,41)(H,36,45)(H,37,47)(H,38,46)(H,39,44)(H,40,48)(H,42,43)(H,49,50)/t20-,22+,23+,24+,27+,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 860 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033450
((S)-2-[(S)-2-((S)-3-Carbamoyl-2-{(S)-3-methyl-2-[(...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C33H50N6O10/c1-17(2)14-23(33(48)49)37-30(45)22(16-26(42)43)35-29(44)21(15-24(34)40)36-31(46)28(19(5)6)39-32(47)27(18(3)4)38-25(41)13-12-20-10-8-7-9-11-20/h7-11,17-19,21-23,27-28H,12-16H2,1-6H3,(H2,34,40)(H,35,44)(H,36,46)(H,37,45)(H,38,41)(H,39,47)(H,42,43)(H,48,49)/t21-,22-,23-,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033474
((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](C)NC(=O)CCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C35H52N6O10/c1-20(2)17-26(35(50)51)39-33(48)25(19-29(44)45)37-32(47)24(18-28(43)41-15-9-10-16-41)38-34(49)30(21(3)4)40-31(46)22(5)36-27(42)14-13-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-26,30H,9-10,13-19H2,1-5H3,(H,36,42)(H,37,47)(H,38,49)(H,39,48)(H,40,46)(H,44,45)(H,50,51)/t22-,24-,25-,26-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033471
((S)-2-[(S)-2-((S)-3-Carbamoyl-2-{(S)-3-methyl-2-[(...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C34H52N6O10/c1-17(2)13-24(34(49)50)38-31(46)23(16-26(42)43)36-30(45)22(15-25(35)41)37-32(47)27(18(3)4)40-33(48)28(19(5)6)39-29(44)20(7)14-21-11-9-8-10-12-21/h8-12,17-20,22-24,27-28H,13-16H2,1-7H3,(H2,35,41)(H,36,45)(H,37,47)(H,38,46)(H,39,44)(H,40,48)(H,42,43)(H,49,50)/t20-,22-,23-,24-,27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50013366
((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-pro...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C27H47N7O10/c1-11(2)8-17(27(43)44)32-24(40)16(10-19(36)37)30-23(39)15(9-18(29)35)31-25(41)20(12(3)4)34-26(42)21(13(5)6)33-22(38)14(7)28/h11-17,20-21H,8-10,28H2,1-7H3,(H2,29,35)(H,30,39)(H,31,41)(H,32,40)(H,33,38)(H,34,42)(H,36,37)(H,43,44)/t14-,15-,16-,17-,20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033452
((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-3-methyl-2-[2-(...)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)CNC(=O)CCc1ccccc1)C(C)C)C(O)=O Show InChI InChI=1S/C34H50N6O10/c1-20(2)16-25(34(49)50)38-32(47)24(18-29(44)45)36-31(46)23(17-28(43)40-14-8-9-15-40)37-33(48)30(21(3)4)39-27(42)19-35-26(41)13-12-22-10-6-5-7-11-22/h5-7,10-11,20-21,23-25,30H,8-9,12-19H2,1-4H3,(H,35,41)(H,36,46)(H,37,48)(H,38,47)(H,39,42)(H,44,45)(H,49,50)/t23-,24-,25-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HSV ribonucleotide reductase |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033448
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)(C)C)C(O)=O)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C51H74N6O10/c1-32(2)39(56(9)46(63)35(28-33-20-12-10-13-21-33)29-34-22-14-11-15-23-34)43(60)54-40(50(6,7)8)44(61)52-36(30-38(58)57-26-18-19-27-57)42(59)55-41(51(48(66)67)24-16-17-25-51)45(62)53-37(47(64)65)31-49(3,4)5/h10-15,20-23,32,35-37,39-41H,16-19,24-31H2,1-9H3,(H,52,61)(H,53,62)(H,54,60)(H,55,59)(H,64,65)(H,66,67)/t36-,37-,39-,40+,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033473
(1-[(S)-[(S)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2-...)Show SMILES CC(C)[C@H](N(C)C(=O)CCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C44H70N6O9/c1-28(2)34(49(9)32(52)20-19-29-17-11-10-12-18-29)38(55)47-35(43(6,7)8)39(56)46-31(25-33(53)50-23-15-16-24-50)37(54)48-36(44(41(58)59)21-13-14-22-44)40(57)45-30(27-51)26-42(3,4)5/h10-12,17-18,28,30-31,34-36,51H,13-16,19-27H2,1-9H3,(H,45,57)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/t30-,31-,34-,35+,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033468
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C47H70N6O9/c1-29(2)36(53(9)43(60)32(24-30-18-12-10-13-19-30)25-31-20-14-11-15-21-31)40(57)51-37(46(6,7)8)41(58)50-34(26-35(48)55)39(56)52-38(47(44(61)62)22-16-17-23-47)42(59)49-33(28-54)27-45(3,4)5/h10-15,18-21,29,32-34,36-38,54H,16-17,22-28H2,1-9H3,(H2,48,55)(H,49,59)(H,50,58)(H,51,57)(H,52,56)(H,61,62)/t33-,34-,36-,37+,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033464
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C51H76N6O9/c1-33(2)40(56(9)47(64)36(28-34-20-12-10-13-21-34)29-35-22-14-11-15-23-35)44(61)54-41(50(6,7)8)45(62)53-38(30-39(59)57-26-18-19-27-57)43(60)55-42(51(48(65)66)24-16-17-25-51)46(63)52-37(32-58)31-49(3,4)5/h10-15,20-23,33,36-38,40-42,58H,16-19,24-32H2,1-9H3,(H,52,63)(H,53,62)(H,54,61)(H,55,60)(H,65,66)/t37-,38-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033468
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C47H70N6O9/c1-29(2)36(53(9)43(60)32(24-30-18-12-10-13-19-30)25-31-20-14-11-15-21-31)40(57)51-37(46(6,7)8)41(58)50-34(26-35(48)55)39(56)52-38(47(44(61)62)22-16-17-23-47)42(59)49-33(28-54)27-45(3,4)5/h10-15,18-21,29,32-34,36-38,54H,16-17,22-28H2,1-9H3,(H2,48,55)(H,49,59)(H,50,58)(H,51,57)(H,52,56)(H,61,62)/t33-,34-,36-,37+,38+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033469
(1-[(S)-((S)-2-{(S)-2-[(S)-2-(2-Benzyl-3-phenyl-pro...)Show SMILES CC(C)[C@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C50H74N6O9/c1-32(2)39(53-42(59)35(27-33-19-11-9-12-20-33)28-34-21-13-10-14-22-34)44(61)54-40(49(6,7)8)45(62)52-37(29-38(58)56-25-17-18-26-56)43(60)55-41(50(47(64)65)23-15-16-24-50)46(63)51-36(31-57)30-48(3,4)5/h9-14,19-22,32,35-37,39-41,57H,15-18,23-31H2,1-8H3,(H,51,63)(H,52,62)(H,53,59)(H,54,61)(H,55,60)(H,64,65)/t36-,37-,39-,40+,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033467
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)C1(CCCC1)C(O)=O Show InChI InChI=1S/C50H74N6O9/c1-32(2)27-37(31-57)51-46(62)42(50(48(64)65)23-15-16-24-50)54-43(59)38(30-39(58)56-25-17-18-26-56)52-45(61)41(49(5,6)7)53-44(60)40(33(3)4)55(8)47(63)36(28-34-19-11-9-12-20-34)29-35-21-13-10-14-22-35/h9-14,19-22,32-33,36-38,40-42,57H,15-18,23-31H2,1-8H3,(H,51,62)(H,52,61)(H,53,60)(H,54,59)(H,64,65)/t37-,38-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033469
(1-[(S)-((S)-2-{(S)-2-[(S)-2-(2-Benzyl-3-phenyl-pro...)Show SMILES CC(C)[C@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C50H74N6O9/c1-32(2)39(53-42(59)35(27-33-19-11-9-12-20-33)28-34-21-13-10-14-22-34)44(61)54-40(49(6,7)8)45(62)52-37(29-38(58)56-25-17-18-26-56)43(60)55-41(50(47(64)65)23-15-16-24-50)46(63)51-36(31-57)30-48(3,4)5/h9-14,19-22,32,35-37,39-41,57H,15-18,23-31H2,1-8H3,(H,51,63)(H,52,62)(H,53,59)(H,54,61)(H,55,60)(H,64,65)/t36-,37-,39-,40+,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033467
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)C1(CCCC1)C(O)=O Show InChI InChI=1S/C50H74N6O9/c1-32(2)27-37(31-57)51-46(62)42(50(48(64)65)23-15-16-24-50)54-43(59)38(30-39(58)56-25-17-18-26-56)52-45(61)41(49(5,6)7)53-44(60)40(33(3)4)55(8)47(63)36(28-34-19-11-9-12-20-34)29-35-21-13-10-14-22-35/h9-14,19-22,32-33,36-38,40-42,57H,15-18,23-31H2,1-8H3,(H,51,62)(H,52,61)(H,53,60)(H,54,59)(H,64,65)/t37-,38-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033451
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O Show InChI InChI=1S/C50H74N6O9/c1-32(2)40(53-45(61)41(33(3)4)55(8)47(63)36(27-34-19-11-9-12-20-34)28-35-21-13-10-14-22-35)44(60)52-38(29-39(58)56-25-17-18-26-56)43(59)54-42(50(48(64)65)23-15-16-24-50)46(62)51-37(31-57)30-49(5,6)7/h9-14,19-22,32-33,36-38,40-42,57H,15-18,23-31H2,1-8H3,(H,51,62)(H,52,60)(H,53,61)(H,54,59)(H,64,65)/t37-,38-,40-,41-,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033473
(1-[(S)-[(S)-2-((S)-3,3-Dimethyl-2-{(S)-3-methyl-2-...)Show SMILES CC(C)[C@H](N(C)C(=O)CCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C44H70N6O9/c1-28(2)34(49(9)32(52)20-19-29-17-11-10-12-18-29)38(55)47-35(43(6,7)8)39(56)46-31(25-33(53)50-23-15-16-24-50)37(54)48-36(44(41(58)59)21-13-14-22-44)40(57)45-30(27-51)26-42(3,4)5/h10-12,17-18,28,30-31,34-36,51H,13-16,19-27H2,1-9H3,(H,45,57)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/t30-,31-,34-,35+,36+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033464
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C51H76N6O9/c1-33(2)40(56(9)47(64)36(28-34-20-12-10-13-21-34)29-35-22-14-11-15-23-35)44(61)54-41(50(6,7)8)45(62)53-38(30-39(59)57-26-18-19-27-57)43(60)55-42(51(48(65)66)24-16-17-25-51)46(63)52-37(32-58)31-49(3,4)5/h10-15,20-23,33,36-38,40-42,58H,16-19,24-32H2,1-9H3,(H,52,63)(H,53,62)(H,54,61)(H,55,60)(H,65,66)/t37-,38-,40-,41+,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033454
((S)-3-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pro...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=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](CO)CC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C47H70N6O9/c1-30(2)39(52(9)45(62)33(24-31-18-12-10-13-19-31)25-32-20-14-11-15-21-32)43(60)51-40(47(6,7)8)44(61)50-35(26-37(55)53-22-16-17-23-53)42(59)49-36(27-38(56)57)41(58)48-34(29-54)28-46(3,4)5/h10-15,18-21,30,33-36,39-40,54H,16-17,22-29H2,1-9H3,(H,48,58)(H,49,59)(H,50,61)(H,51,60)(H,56,57)/t34-,35-,36-,39-,40+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-1 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033451
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(CCCC1)C(O)=O Show InChI InChI=1S/C50H74N6O9/c1-32(2)40(53-45(61)41(33(3)4)55(8)47(63)36(27-34-19-11-9-12-20-34)28-35-21-13-10-14-22-35)44(60)52-38(29-39(58)56-25-17-18-26-56)43(59)54-42(50(48(64)65)23-15-16-24-50)46(62)51-37(31-57)30-49(5,6)7/h9-14,19-22,32-33,36-38,40-42,57H,15-18,23-31H2,1-8H3,(H,51,62)(H,52,60)(H,53,61)(H,54,59)(H,64,65)/t37-,38-,40-,41-,42+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033454
((S)-3-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pro...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=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](CO)CC(C)(C)C)C(C)(C)C Show InChI InChI=1S/C47H70N6O9/c1-30(2)39(52(9)45(62)33(24-31-18-12-10-13-19-31)25-32-20-14-11-15-21-32)43(60)51-40(47(6,7)8)44(61)50-35(26-37(55)53-22-16-17-23-53)42(59)49-36(27-38(56)57)41(58)48-34(29-54)28-46(3,4)5/h10-15,18-21,30,33-36,39-40,54H,16-17,22-29H2,1-9H3,(H,48,58)(H,49,59)(H,50,61)(H,51,60)(H,56,57)/t34-,35-,36-,39-,40+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50033448
(1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...)Show SMILES CC(C)[C@H](N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)(C)C)C(O)=O)C1(CCCC1)C(O)=O)C(C)(C)C Show InChI InChI=1S/C51H74N6O10/c1-32(2)39(56(9)46(63)35(28-33-20-12-10-13-21-33)29-34-22-14-11-15-23-34)43(60)54-40(50(6,7)8)44(61)52-36(30-38(58)57-26-18-19-27-57)42(59)55-41(51(48(66)67)24-16-17-25-51)45(62)53-37(47(64)65)31-49(3,4)5/h10-15,20-23,32,35-37,39-41H,16-19,24-31H2,1-9H3,(H,52,61)(H,53,62)(H,54,60)(H,55,59)(H,64,65)(H,66,67)/t36-,37-,39-,40+,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
Bio-M£ga/Boehringer Ingelheim Research Inc.
Curated by ChEMBL
| Assay Description
Inhibitory activity against HSV-2 in baby hamster kidney cell |
J Med Chem 38: 3617-23 (1995)
BindingDB Entry DOI: 10.7270/Q21V5FMW |
More data for this
Ligand-Target Pair | |
Search and Browse
