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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase M1/M2 chain'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033464
PNG
(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
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n/an/an/an/a 3.10E+3n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033464
PNG
(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
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n/an/an/an/a 4.20E+3n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033451
PNG
(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
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n/an/an/an/a 6.50E+3n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033451
PNG
(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
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n/an/an/an/a 7.00E+3n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033467
PNG
(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
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n/an/an/an/a 7.30E+3n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033467
PNG
(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
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n/an/an/an/a 7.30E+3n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033469
PNG
(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
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n/an/an/an/a 1.20E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033469
PNG
(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
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n/an/an/an/a 1.40E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033454
PNG
((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
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n/an/an/an/a 3.00E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033448
PNG
(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
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n/an/an/an/a 3.00E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033473
PNG
(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
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n/an/an/an/a 3.50E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033448
PNG
(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
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n/an/an/an/a 3.50E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033454
PNG
((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
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n/an/an/an/a 3.90E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033473
PNG
(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
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n/an/an/an/a 5.20E+4n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033468
PNG
(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
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n/an/an/an/a 1.50E+5n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033468
PNG
(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
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n/an/an/an/a 1.50E+5n/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50012237
PNG
(2'-deoxy-2'methylenuridine (MdUrd),,5'-diphosphate...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H](C1=C)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H14N2O11P2/c1-5-8(14)6(4-21-25(19,20)23-24(16,17)18)22-9(5)12-3-2-7(13)11-10(12)15/h2-3,6,8-9,14H,1,4H2,(H,19,20)(H,11,13,15)(H2,16,17,18)/t6-,8+,9-/m1/s1
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8.30E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Compound was evaluated for time-dependent inactivation of Ribonucleotide diphosphate reductase (RDPR) in E. coli


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1021/jm00110a019
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50369164
PNG
(CHEMBL1169533)
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)NC1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C32H54N6O9/c1-17(2)14-23(31(45)46)35-29(43)22(16-25(40)41)33-28(42)21(15-24(39)38-12-7-8-13-38)34-30(44)26(18(3)4)36-32(47)37-27-19(5)10-9-11-20(27)6/h17-23,26-27H,7-16H2,1-6H3,(H,33,42)(H,34,44)(H,35,43)(H,40,41)(H,45,46)(H2,36,37,47)/t19-,20+,21-,22+,23+,26+,27?/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50153686
PNG
((S)-N-((S)-1-Carboxy-2-phenyl-ethyl)-3-{(S)-2-[(S)...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H45N5O9/c54-43(55)26-41(46(58)52-42(47(59)60)24-30-15-5-2-6-16-30)51-44(56)39(23-29-13-3-1-4-14-29)50-45(57)40(25-31-27-49-38-22-12-11-17-32(31)38)53-48(61)62-28-37-35-20-9-7-18-33(35)34-19-8-10-21-36(34)37/h1-22,27,37,39-42,49H,23-26,28H2,(H,50,57)(H,51,56)(H,52,58)(H,53,61)(H,54,55)(H,59,60)/t39-,40-,41-,42-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay


Bioorg Med Chem Lett 14: 5301-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50153687
PNG
((S)-4-{(S)-1-[(S)-2-Carboxy-1-((S)-1-carboxy-2-phe...)
Show SMILES CC(C)C[C@H](NC(=O)C(C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C56H65N5O13/c1-33(2)28-43(60-54(70)49(36-20-10-5-11-21-36)56(73)74-32-41-39-24-14-12-22-37(39)38-23-13-15-25-40(38)41)51(67)57-42(26-27-47(62)63)50(66)58-44(29-34-16-6-3-7-17-34)52(68)59-45(31-48(64)65)53(69)61-46(55(71)72)30-35-18-8-4-9-19-35/h4-5,8-15,18-25,33-34,41-46,49H,3,6-7,16-17,26-32H2,1-2H3,(H,57,67)(H,58,66)(H,59,68)(H,60,70)(H,61,69)(H,62,63)(H,64,65)(H,71,72)/t42-,43-,44-,45-,46-,49?/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay


Bioorg Med Chem Lett 14: 5301-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50153688
PNG
((S)-3-[(S)-2-((S)-2-{(S)-2-[(2S,3R)-2-((S)-2-Acety...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H55N7O14/c1-21(2)16-27(46-40(60)34(23(4)49)48-39(59)28(43-24(5)50)17-25-12-8-6-9-13-25)37(57)45-29(19-32(51)52)36(56)42-22(3)35(55)44-30(20-33(53)54)38(58)47-31(41(61)62)18-26-14-10-7-11-15-26/h6-15,21-23,27-31,34,49H,16-20H2,1-5H3,(H,42,56)(H,43,50)(H,44,55)(H,45,57)(H,46,60)(H,47,58)(H,48,59)(H,51,52)(H,53,54)(H,61,62)/t22-,23+,27-,28-,29-,30-,31-,34-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay


Bioorg Med Chem Lett 14: 5301-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50153690
PNG
((S)-2-((S)-2-{(S)-2-[(S)-2-(9H-Fluoren-9-ylmethoxy...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C49H49N5O7/c1-30(2)44(47(57)51-41(25-31-15-5-3-6-16-31)45(55)52-43(48(58)59)26-32-17-7-4-8-18-32)54-46(56)42(27-33-28-50-40-24-14-13-19-34(33)40)53-49(60)61-29-39-37-22-11-9-20-35(37)36-21-10-12-23-38(36)39/h3-24,28,30,39,41-44,50H,25-27,29H2,1-2H3,(H,51,57)(H,52,55)(H,53,60)(H,54,56)(H,58,59)/t41-,42-,43-,44-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay


Bioorg Med Chem Lett 14: 5301-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50153689
PNG
((S)-N-{(S)-1-[(S)-2-Carboxy-1-((S)-1-carboxy-2-phe...)
Show SMILES CC(C)C[C@H](NC(=O)C(N(C)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C56H66N6O13/c1-33(2)27-42(60-54(71)49(36-21-11-6-12-22-36)62(3)56(74)75-32-41-39-25-15-13-23-37(39)38-24-14-16-26-40(38)41)50(67)58-44(30-47(63)64)52(69)57-43(28-34-17-7-4-8-18-34)51(68)59-45(31-48(65)66)53(70)61-46(55(72)73)29-35-19-9-5-10-20-35/h5-6,9-16,19-26,33-34,41-46,49H,4,7-8,17-18,27-32H2,1-3H3,(H,57,69)(H,58,67)(H,59,68)(H,60,71)(H,61,70)(H,63,64)(H,65,66)(H,72,73)/t42-,43-,44-,45-,46-,49?/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay


Bioorg Med Chem Lett 14: 5301-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50153691
PNG
((S)-3-[(S)-2-((S)-3-Carboxy-2-{(S)-2-[2-(9H-fluore...)
Show SMILES CC(C)C[C@H](NC(=O)C(C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C55H63N5O13/c1-32(2)26-41(59-53(69)48(35-20-10-5-11-21-35)55(72)73-31-40-38-24-14-12-22-36(38)37-23-13-15-25-39(37)40)49(65)57-43(29-46(61)62)51(67)56-42(27-33-16-6-3-7-17-33)50(66)58-44(30-47(63)64)52(68)60-45(54(70)71)28-34-18-8-4-9-19-34/h4-5,8-15,18-25,32-33,40-45,48H,3,6-7,16-17,26-31H2,1-2H3,(H,56,67)(H,57,65)(H,58,66)(H,59,69)(H,60,68)(H,61,62)(H,63,64)(H,70,71)/t41-,42-,43-,44-,45-,48?/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay


Bioorg Med Chem Lett 14: 5301-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50214817
PNG
(CHEMBL236757 | N6-aminoadenosine)
Show SMILES NNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N6O4/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10,17-19H,1,11H2,(H,12,13,15)/t4-,6-,7-,10-/m1/s1
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n/an/a 2.32E+5n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ribonucleotide reductase M2/M1 expressed in Escherichia coli BL21 (DE3) after 30 mins by [3H]CDP reduction method


Eur J Med Chem 46: 1499-504 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.055
BindingDB Entry DOI: 10.7270/Q2K074KT
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50000140
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-pheny...)
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)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C41H64N10O14/c1-18(2)13-28(41(64)65)49-38(61)27(16-31(55)56)47-37(60)26(15-29(43)53)48-39(62)32(19(3)4)51-40(63)33(20(5)6)50-35(58)22(8)45-30(54)17-44-34(57)21(7)46-36(59)25(42)14-23-9-11-24(52)12-10-23/h9-12,18-22,25-28,32-33,52H,13-17,42H2,1-8H3,(H2,43,53)(H,44,57)(H,45,54)(H,46,59)(H,47,60)(H,48,62)(H,49,61)(H,50,58)(H,51,63)(H,55,56)(H,64,65)/t21-,22-,25-,26-,27-,28-,32-,33-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase; value ranges from 36-60 uM


J Med Chem 33: 723-30 (1990)


Article DOI: 10.1021/jm00164a040
BindingDB Entry DOI: 10.7270/Q2XD128X
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053963
PNG
((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...)
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](C)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C30H54N6O7/c1-10-19(11-2)32-28(43)35-24(30(7,8)9)27(42)34-20(16-22(37)36-14-12-13-15-36)26(41)33-21(17-23(38)39)25(40)31-18(3)29(4,5)6/h18-21,24H,10-17H2,1-9H3,(H,31,40)(H,33,41)(H,34,42)(H,38,39)(H2,32,35,43)/t18-,20+,21+,24-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50013358
PNG
(CHEMBL102379 | H-Val-Val-Asn-Asp-Leu-OH | Val-Val-...)
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](N)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C24H42N6O9/c1-10(2)7-15(24(38)39)29-21(35)14(9-17(32)33)27-20(34)13(8-16(25)31)28-23(37)19(12(5)6)30-22(36)18(26)11(3)4/h10-15,18-19H,7-9,26H2,1-6H3,(H2,25,31)(H,27,34)(H,28,37)(H,29,35)(H,30,36)(H,32,33)(H,38,39)/t13-,14-,15-,18-,19-/m0/s1
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n/an/a 7.60E+5n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053962
PNG
((S)-N-((R)-1-Ethyl-2,2-dimethyl-propyl)-3-((S)-2-{...)
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)C)C(C)(C)C
Show InChI InChI=1S/C31H56N6O7/c1-10-19(11-2)32-29(44)36-25(31(7,8)9)28(43)34-20(17-23(38)37-15-13-14-16-37)26(41)33-21(18-24(39)40)27(42)35-22(12-3)30(4,5)6/h19-22,25H,10-18H2,1-9H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H2,32,36,44)/t20-,21-,22+,25+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053964
PNG
((S)-N-((S)-1-Ethyl-2,2-dimethyl-propyl)-3-((S)-2-{...)
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)C)C(C)(C)C
Show InChI InChI=1S/C31H56N6O7/c1-10-19(11-2)32-29(44)36-25(31(7,8)9)28(43)34-20(17-23(38)37-15-13-14-16-37)26(41)33-21(18-24(39)40)27(42)35-22(12-3)30(4,5)6/h19-22,25H,10-18H2,1-9H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H2,32,36,44)/t20-,21-,22-,25+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033460
PNG
((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
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n/an/a 860n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033462
PNG
((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
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n/an/a 24n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053968
PNG
((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)C(C)(C)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/C30H53N5O9/c1-11-17(12-2)31-28(44)35-23(30(8,9)10)26(41)33-18(14-21(36)29(5,6)7)24(39)32-19(15-22(37)38)25(40)34-20(27(42)43)13-16(3)4/h16-20,23H,11-15H2,1-10H3,(H,32,39)(H,33,41)(H,34,40)(H,37,38)(H,42,43)(H2,31,35,44)/t18-,19-,20-,23+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053967
PNG
((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)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C31H54N6O9/c1-9-18(10-2)32-29(46)36-24(31(6,7)8)27(43)34-19(15-22(38)37-13-11-12-14-37)25(41)33-20(16-23(39)40)26(42)35-21(28(44)45)17-30(3,4)5/h18-21,24H,9-17H2,1-8H3,(H,33,41)(H,34,43)(H,35,42)(H,39,40)(H,44,45)(H2,32,36,46)/t19-,20-,21-,24+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053970
PNG
((S)-N-(3,3-Dimethyl-butyl)-3-((S)-2-{(S)-2-[3-(1-e...)
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)NCCC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C30H54N6O7/c1-9-19(10-2)32-28(43)35-24(30(6,7)8)27(42)34-20(17-22(37)36-15-11-12-16-36)26(41)33-21(18-23(38)39)25(40)31-14-13-29(3,4)5/h19-21,24H,9-18H2,1-8H3,(H,31,40)(H,33,41)(H,34,42)(H,38,39)(H2,32,35,43)/t20-,21-,24+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053972
PNG
((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(3-cyclohexyl...)
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)NC1CCCCC1)C(C)C)C(O)=O
Show InChI InChI=1S/C30H50N6O9/c1-17(2)14-22(29(43)44)34-27(41)21(16-24(38)39)32-26(40)20(15-23(37)36-12-8-9-13-36)33-28(42)25(18(3)4)35-30(45)31-19-10-6-5-7-11-19/h17-22,25H,5-16H2,1-4H3,(H,32,40)(H,33,42)(H,34,41)(H,38,39)(H,43,44)(H2,31,35,45)/t20-,21-,22-,25-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053973
PNG
((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...)
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](CO)CC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C31H56N6O8/c1-9-19(10-2)33-29(45)36-25(31(6,7)8)28(44)35-21(15-23(39)37-13-11-12-14-37)27(43)34-22(16-24(40)41)26(42)32-20(18-38)17-30(3,4)5/h19-22,25,38H,9-18H2,1-8H3,(H,32,42)(H,34,43)(H,35,44)(H,40,41)(H2,33,36,45)/t20-,21-,22-,25+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50369164
PNG
(CHEMBL1169533)
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)NC1[C@@H](C)CCC[C@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C32H54N6O9/c1-17(2)14-23(31(45)46)35-29(43)22(16-25(40)41)33-28(42)21(15-24(39)38-12-7-8-13-38)34-30(44)26(18(3)4)36-32(47)37-27-19(5)10-9-11-20(27)6/h17-23,26-27H,7-16H2,1-6H3,(H,33,42)(H,34,44)(H,35,43)(H,40,41)(H,45,46)(H2,36,37,47)/t19-,20+,21-,22+,23+,26+,27?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50369165
PNG
(CHEMBL1169532)
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)NC1[C@@H](C)CCC[C@@H]1C)C(C)C)C(O)=O
Show InChI InChI=1S/C32H54N6O9/c1-17(2)14-23(31(45)46)35-29(43)22(16-25(40)41)33-28(42)21(15-24(39)38-12-7-8-13-38)34-30(44)26(18(3)4)36-32(47)37-27-19(5)10-9-11-20(27)6/h17-23,26-27H,7-16H2,1-6H3,(H,33,42)(H,34,44)(H,35,43)(H,40,41)(H,45,46)(H2,36,37,47)/t19-,20-,21-,22+,23+,26+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50050831
PNG
((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
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n/an/a 3n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053980
PNG
((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...)
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)NCC(C)C)C(C)(C)C
Show InChI InChI=1S/C28H50N6O7/c1-8-18(9-2)30-27(41)33-23(28(5,6)7)26(40)32-19(14-21(35)34-12-10-11-13-34)25(39)31-20(15-22(36)37)24(38)29-16-17(3)4/h17-20,23H,8-16H2,1-7H3,(H,29,38)(H,31,39)(H,32,40)(H,36,37)(H2,30,33,41)/t19-,20-,23+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053981
PNG
((S)-2-((S)-3-Carboxy-2-{(2R,5S)-2-(3,3-dimethyl-2-...)
Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)C(C)(C)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/C31H54N4O9/c1-11-19(12-2)32-29(44)35-25(31(8,9)10)22(36)14-18(15-23(37)30(5,6)7)26(40)33-20(16-24(38)39)27(41)34-21(28(42)43)13-17(3)4/h17-21,25H,11-16H2,1-10H3,(H,33,40)(H,34,41)(H,38,39)(H,42,43)(H2,32,35,44)/t18-,20-,21-,25+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50050826
PNG
((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
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n/an/a 15n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053984
PNG
((S)-2-{(S)-3-Carboxy-2-[(2S,5S)-5-[3-(1-ethyl-prop...)
Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)C[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/c1-8-20(9-2)32-30(45)35-26(31(5,6)7)23(37)15-19(16-24(38)36-12-10-11-13-36)27(41)33-21(17-25(39)40)28(42)34-22(29(43)44)14-18(3)4/h18-22,26H,8-17H2,1-7H3,(H,33,41)(H,34,42)(H,39,40)(H,43,44)(H2,32,35,45)/t19-,21-,22-,26+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053987
PNG
((S)-N-(2,2-Dimethyl-propyl)-3-((S)-2-{(S)-2-[3-(1-...)
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)NCC(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C29H52N6O7/c1-9-18(10-2)31-27(42)34-23(29(6,7)8)26(41)33-19(15-21(36)35-13-11-12-14-35)25(40)32-20(16-22(37)38)24(39)30-17-28(3,4)5/h18-20,23H,9-17H2,1-8H3,(H,30,39)(H,32,40)(H,33,41)(H,37,38)(H2,31,34,42)/t19-,20-,23+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053985
PNG
((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...)
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)NCCC(C)C)C(C)(C)C
Show InChI InChI=1S/C29H52N6O7/c1-8-19(9-2)31-28(42)34-24(29(5,6)7)27(41)33-20(16-22(36)35-14-10-11-15-35)26(40)32-21(17-23(37)38)25(39)30-13-12-18(3)4/h18-21,24H,8-17H2,1-7H3,(H,30,39)(H,32,40)(H,33,41)(H,37,38)(H2,31,34,42)/t20-,21-,24+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50050828
PNG
((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
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n/an/a 7n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50050829
PNG
((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
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n/an/a 440n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50053986
PNG
((S)-3-((S)-2-{(S)-2-[3-(1-Ethyl-propyl)-ureido]-3,...)
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](C)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C30H54N6O7/c1-10-19(11-2)32-28(43)35-24(30(7,8)9)27(42)34-20(16-22(37)36-14-12-13-15-36)26(41)33-21(17-23(38)39)25(40)31-18(3)29(4,5)6/h18-21,24H,10-17H2,1-9H3,(H,31,40)(H,33,41)(H,34,42)(H,38,39)(H2,32,35,43)/t18-,20-,21-,24+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.


J Med Chem 39: 4173-80 (1996)


Article DOI: 10.1021/jm960324r
BindingDB Entry DOI: 10.7270/Q28W3DZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1/M2 chain


(Homo sapiens)
BDBM50033449
PNG
((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
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n/an/a 36n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00018a022
BindingDB Entry DOI: 10.7270/Q21V5FMW
More data for this
Ligand-Target Pair
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