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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase M1 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 large subunit


(Homo sapiens (Human))
BDBM50000150
PNG
(CHEMBL440253 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C54H78N12O19/c1-10-27(6)44(52(80)61-37(22-40(55)70)49(77)60-38(23-42(72)73)50(78)62-39(54(82)83)19-25(2)3)65-51(79)43(26(4)5)64-53(81)45(29(8)67)63-41(71)24-56-46(74)28(7)57-47(75)36(21-32-13-17-34(69)18-14-32)59-48(76)35(58-30(9)68)20-31-11-15-33(16-12-31)66(84)85/h11-18,25-29,35-39,43-45,67,69H,10,19-24H2,1-9H3,(H2,55,70)(H,56,74)(H,57,75)(H,58,68)(H,59,76)(H,60,77)(H,61,80)(H,62,78)(H,63,71)(H,64,81)(H,65,79)(H,72,73)(H,82,83)/t27-,28+,29-,35+,36+,37+,38+,39+,43+,44+,45+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000141
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C47H71N11O15/c1-10-23(6)38(45(70)54-31(17-34(48)61)42(67)53-32(18-36(63)64)43(68)55-33(47(72)73)15-21(2)3)58-44(69)37(22(4)5)57-46(71)39(25(8)59)56-35(62)20-50-40(65)24(7)51-41(66)30(52-26(9)60)16-27-19-49-29-14-12-11-13-28(27)29/h11-14,19,21-25,30-33,37-39,49,59H,10,15-18,20H2,1-9H3,(H2,48,61)(H,50,65)(H,51,66)(H,52,60)(H,53,67)(H,54,70)(H,55,68)(H,56,62)(H,57,71)(H,58,69)(H,63,64)(H,72,73)/t23-,24+,25-,30+,31+,32+,33+,37+,38+,39+/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000153
PNG
(CHEMBL386066 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H70N10O17/c1-9-22(6)36(43(69)50-28(16-32(46)60)40(66)49-29(17-34(62)63)41(67)51-30(45(71)72)14-20(2)3)55-42(68)35(21(4)5)54-44(70)37(23(7)57)53-33(61)18-47-38(64)31(19-56)52-39(65)27(48-24(8)58)15-25-10-12-26(59)13-11-25/h10-13,20-23,27-31,35-37,56-57,59H,9,14-19H2,1-8H3,(H2,46,60)(H,47,64)(H,48,58)(H,49,66)(H,50,69)(H,51,67)(H,52,65)(H,53,61)(H,54,70)(H,55,68)(H,62,63)(H,71,72)/t22-,23-,27+,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000152
PNG
(CHEMBL277280 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O16/c1-10-22(5)36(43(68)52-30(18-33(47)60)41(66)51-31(19-35(62)63)42(67)53-32(46(71)72)16-21(3)4)55-44(69)37(23(6)11-2)56-45(70)38(25(8)57)54-34(61)20-48-39(64)24(7)49-40(65)29(50-26(9)58)17-27-12-14-28(59)15-13-27/h12-15,21-25,29-32,36-38,57,59H,10-11,16-20H2,1-9H3,(H2,47,60)(H,48,64)(H,49,65)(H,50,58)(H,51,66)(H,52,68)(H,53,67)(H,54,61)(H,55,69)(H,56,70)(H,62,63)(H,71,72)/t22-,23+,24+,25-,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000146
PNG
(CHEMBL414299 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H69IN10O16/c1-10-21(6)36(43(69)52-28(16-32(47)60)40(66)51-29(17-34(62)63)41(67)53-30(45(71)72)13-19(2)3)56-42(68)35(20(4)5)55-44(70)37(23(8)57)54-33(61)18-48-38(64)22(7)49-39(65)27(50-24(9)58)15-25-11-12-31(59)26(46)14-25/h11-12,14,19-23,27-30,35-37,57,59H,10,13,15-18H2,1-9H3,(H2,47,60)(H,48,64)(H,49,65)(H,50,58)(H,51,66)(H,52,69)(H,53,67)(H,54,61)(H,55,70)(H,56,68)(H,62,63)(H,71,72)/t21-,22+,23-,27+,28+,29+,30+,35+,36+,37+/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000165
PNG
(CHEMBL437817 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H70N10O16S/c1-9-22(6)36(43(68)50-28(16-32(46)59)40(65)49-29(17-34(61)62)41(66)51-30(45(70)71)14-20(2)3)55-42(67)35(21(4)5)54-44(69)37(23(7)56)53-33(60)18-47-38(63)31(19-72)52-39(64)27(48-24(8)57)15-25-10-12-26(58)13-11-25/h10-13,20-23,27-31,35-37,56,58,72H,9,14-19H2,1-8H3,(H2,46,59)(H,47,63)(H,48,57)(H,49,65)(H,50,68)(H,51,66)(H,52,64)(H,53,60)(H,54,69)(H,55,67)(H,61,62)(H,70,71)/t22-,23-,27+,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000154
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H70N10O16/c1-10-22(6)36(43(68)51-29(17-32(46)59)40(65)50-30(18-34(61)62)41(66)52-31(45(70)71)15-20(2)3)55-42(67)35(21(4)5)54-44(69)37(24(8)56)53-33(60)19-47-38(63)23(7)48-39(64)28(49-25(9)57)16-26-11-13-27(58)14-12-26/h11-14,20-24,28-31,35-37,56,58H,10,15-19H2,1-9H3,(H2,46,59)(H,47,63)(H,48,64)(H,49,57)(H,50,65)(H,51,68)(H,52,66)(H,53,60)(H,54,69)(H,55,67)(H,61,62)(H,70,71)/t22-,23+,24-,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000149
PNG
(CHEMBL261954 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O17/c1-10-22(6)36(44(70)51-29(17-32(47)61)39(65)50-30(18-34(63)64)40(66)52-31(46(72)73)15-20(2)3)55-43(69)35(21(4)5)54-45(71)38(24(8)58)53-33(62)19-48-42(68)37(23(7)57)56-41(67)28(49-25(9)59)16-26-11-13-27(60)14-12-26/h11-14,20-24,28-31,35-38,57-58,60H,10,15-19H2,1-9H3,(H2,47,61)(H,48,68)(H,49,59)(H,50,65)(H,51,70)(H,52,66)(H,53,62)(H,54,71)(H,55,69)(H,56,67)(H,63,64)(H,72,73)/t22-,23-,24-,28+,29+,30+,31+,35+,36+,37+,38+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000166
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O15/c1-11-24(8)38(45(69)52-30(18-33(47)59)41(65)51-31(19-35(61)62)42(66)53-32(46(70)71)16-21(2)3)56-44(68)37(23(6)7)55-43(67)36(22(4)5)54-34(60)20-48-39(63)25(9)49-40(64)29(50-26(10)57)17-27-12-14-28(58)15-13-27/h12-15,21-25,29-32,36-38,58H,11,16-20H2,1-10H3,(H2,47,59)(H,48,63)(H,49,64)(H,50,57)(H,51,65)(H,52,69)(H,53,66)(H,54,60)(H,55,67)(H,56,68)(H,61,62)(H,70,71)/t24-,25+,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000163
PNG
(CHEMBL386716 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H68N10O15S/c1-9-22(6)36(43(67)51-28(16-32(45)57)39(63)50-29(17-34(59)60)40(64)52-30(44(68)69)14-20(2)3)54-42(66)35(21(4)5)53-41(65)31(19-70)49-33(58)18-46-37(61)23(7)47-38(62)27(48-24(8)55)15-25-10-12-26(56)13-11-25/h10-13,20-23,27-31,35-36,56,70H,9,14-19H2,1-8H3,(H2,45,57)(H,46,61)(H,47,62)(H,48,55)(H,49,58)(H,50,63)(H,51,67)(H,52,64)(H,53,65)(H,54,66)(H,59,60)(H,68,69)/t22-,23+,27+,28+,29+,30+,31+,35+,36+/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000164
PNG
(CHEMBL405583 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C47H74N10O16/c1-11-24(8)38(45(70)52-30(18-33(48)61)40(65)51-31(19-35(63)64)41(66)53-32(47(72)73)16-21(2)3)57-44(69)37(23(6)7)56-46(71)39(25(9)58)54-34(62)20-49-43(68)36(22(4)5)55-42(67)29(50-26(10)59)17-27-12-14-28(60)15-13-27/h12-15,21-25,29-32,36-39,58,60H,11,16-20H2,1-10H3,(H2,48,61)(H,49,68)(H,50,59)(H,51,65)(H,52,70)(H,53,66)(H,54,62)(H,55,67)(H,56,71)(H,57,69)(H,63,64)(H,72,73)/t24-,25-,29+,30+,31+,32+,36+,37+,38+,39+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000157
PNG
(CHEMBL261962 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O17/c1-9-22(5)36(43(69)51-29(17-33(47)61)41(67)50-30(18-35(63)64)42(68)52-31(46(72)73)15-21(3)4)55-44(70)37(23(6)10-2)56-45(71)38(24(7)58)54-34(62)19-48-39(65)32(20-57)53-40(66)28(49-25(8)59)16-26-11-13-27(60)14-12-26/h11-14,21-24,28-32,36-38,57-58,60H,9-10,15-20H2,1-8H3,(H2,47,61)(H,48,65)(H,49,59)(H,50,67)(H,51,69)(H,52,68)(H,53,66)(H,54,62)(H,55,70)(H,56,71)(H,63,64)(H,72,73)/t22-,23-,24-,28+,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000137
PNG
(CHEMBL263845 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C48H76N10O16/c1-12-24(8)38(46(71)53-31(19-34(49)62)42(67)52-32(20-35(63)64)43(68)54-33(48(73)74)17-21(2)3)57-44(69)37(23(6)7)56-47(72)39(26(10)59)58-45(70)36(22(4)5)55-40(65)25(9)50-41(66)30(51-27(11)60)18-28-13-15-29(61)16-14-28/h13-16,21-26,30-33,36-39,59,61H,12,17-20H2,1-11H3,(H2,49,62)(H,50,66)(H,51,60)(H,52,67)(H,53,71)(H,54,68)(H,55,65)(H,56,72)(H,57,69)(H,58,70)(H,63,64)(H,73,74)/t24-,25+,26-,30+,31+,32+,33+,36+,37+,38+,39+/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000145
PNG
(CHEMBL386344 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H68N10O16/c1-9-22(6)36(43(68)51-28(16-32(45)58)39(64)50-29(17-34(60)61)40(65)52-30(44(69)70)14-20(2)3)54-42(67)35(21(4)5)53-41(66)31(19-55)49-33(59)18-46-37(62)23(7)47-38(63)27(48-24(8)56)15-25-10-12-26(57)13-11-25/h10-13,20-23,27-31,35-36,55,57H,9,14-19H2,1-8H3,(H2,45,58)(H,46,62)(H,47,63)(H,48,56)(H,49,59)(H,50,64)(H,51,68)(H,52,65)(H,53,66)(H,54,67)(H,60,61)(H,69,70)/t22-,23+,27+,28+,29+,30+,31+,35+,36+/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000148
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-fluoro-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(F)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H69FN10O15/c1-10-22(6)36(43(68)52-29(17-32(47)59)40(65)51-30(18-34(61)62)41(66)53-31(45(70)71)15-20(2)3)56-42(67)35(21(4)5)55-44(69)37(24(8)57)54-33(60)19-48-38(63)23(7)49-39(64)28(50-25(9)58)16-26-11-13-27(46)14-12-26/h11-14,20-24,28-31,35-37,57H,10,15-19H2,1-9H3,(H2,47,59)(H,48,63)(H,49,64)(H,50,58)(H,51,65)(H,52,68)(H,53,66)(H,54,60)(H,55,69)(H,56,67)(H,61,62)(H,70,71)/t22-,23+,24-,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000134
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-chloro-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H69ClN10O15/c1-10-22(6)36(43(68)52-29(17-32(47)59)40(65)51-30(18-34(61)62)41(66)53-31(45(70)71)15-20(2)3)56-42(67)35(21(4)5)55-44(69)37(24(8)57)54-33(60)19-48-38(63)23(7)49-39(64)28(50-25(9)58)16-26-11-13-27(46)14-12-26/h11-14,20-24,28-31,35-37,57H,10,15-19H2,1-9H3,(H2,47,59)(H,48,63)(H,49,64)(H,50,58)(H,51,65)(H,52,68)(H,53,66)(H,54,60)(H,55,69)(H,56,67)(H,61,62)(H,70,71)/t22-,23+,24-,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368768
PNG
(CHEMBL1790908)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)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/C44H60N8O16/c1-22(2)16-28(50-43(66)36(24(4)54)52-41(64)29(17-26-12-8-6-9-13-26)48-42(65)33(21-53)46-25(5)55)39(62)49-30(19-34(56)57)38(61)45-23(3)37(60)47-31(20-35(58)59)40(63)51-32(44(67)68)18-27-14-10-7-11-15-27/h6-15,22-24,28-33,36,53-54H,16-21H2,1-5H3,(H,45,61)(H,46,55)(H,47,60)(H,48,65)(H,49,62)(H,50,66)(H,51,63)(H,52,64)(H,56,57)(H,58,59)(H,67,68)/t23-,24-,28-,29-,30-,31-,32-,33-,36-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 8-20


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368749
PNG
(CHEMBL1790913)
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 8.00E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on mammalian ribonucleotide reductase


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000159
PNG
(CHEMBL331824 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H68I2N10O16/c1-10-20(6)35(43(70)53-28(15-31(48)60)40(67)52-29(16-33(62)63)41(68)54-30(45(72)73)11-18(2)3)57-42(69)34(19(4)5)56-44(71)36(22(8)58)55-32(61)17-49-38(65)21(7)50-39(66)27(51-23(9)59)14-24-12-25(46)37(64)26(47)13-24/h12-13,18-22,27-30,34-36,58,64H,10-11,14-17H2,1-9H3,(H2,48,60)(H,49,65)(H,50,66)(H,51,59)(H,52,67)(H,53,70)(H,54,68)(H,55,61)(H,56,71)(H,57,69)(H,62,63)(H,72,73)/t20-,21+,22-,27+,28+,29+,30+,34+,35+,36+/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000151
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H69N9O17/c1-10-22(6)36(43(68)50-30(18-34(61)62)40(65)49-29(17-33(59)60)41(66)51-31(45(70)71)15-20(2)3)54-42(67)35(21(4)5)53-44(69)37(24(8)55)52-32(58)19-46-38(63)23(7)47-39(64)28(48-25(9)56)16-26-11-13-27(57)14-12-26/h11-14,20-24,28-31,35-37,55,57H,10,15-19H2,1-9H3,(H,46,63)(H,47,64)(H,48,56)(H,49,65)(H,50,68)(H,51,66)(H,52,58)(H,53,69)(H,54,67)(H,59,60)(H,61,62)(H,70,71)/t22-,23+,24-,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368751
PNG
(CHEMBL1790907)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)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/C48H66N10O18/c1-23(2)16-29(42(69)54-32(20-37(63)64)41(68)50-24(3)40(67)52-33(21-38(65)66)44(71)56-34(48(75)76)18-28-14-10-7-11-15-28)55-47(74)39(25(4)60)58-45(72)30(17-27-12-8-6-9-13-27)53-46(73)35(22-59)57-43(70)31(19-36(49)62)51-26(5)61/h6-15,23-25,29-35,39,59-60H,16-22H2,1-5H3,(H2,49,62)(H,50,68)(H,51,61)(H,52,67)(H,53,73)(H,54,69)(H,55,74)(H,56,71)(H,57,70)(H,58,72)(H,63,64)(H,65,66)(H,75,76)/t24-,25-,29-,30-,31-,32-,33-,34-,35-,39-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 9-15


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000161
PNG
(2-[2-(2-{2-[2-(2-{2-[2-(2-Acetylamino-3-cyclohexyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H76N10O15/c1-10-23(6)36(43(67)51-29(18-32(46)58)40(64)50-30(19-34(60)61)41(65)52-31(45(69)70)16-21(2)3)55-42(66)35(22(4)5)54-44(68)37(25(8)56)53-33(59)20-47-38(62)24(7)48-39(63)28(49-26(9)57)17-27-14-12-11-13-15-27/h21-25,27-31,35-37,56H,10-20H2,1-9H3,(H2,46,58)(H,47,62)(H,48,63)(H,49,57)(H,50,64)(H,51,67)(H,52,65)(H,53,59)(H,54,68)(H,55,66)(H,60,61)(H,69,70)/t23-,24+,25-,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 1.13E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000138
PNG
(CHEMBL384014 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O16/c1-11-23(6)37(44(69)51-29(18-33(47)60)40(65)50-30(19-35(62)63)41(66)52-31(46(71)72)16-21(2)3)55-43(68)36(22(4)5)54-45(70)38(25(8)57)53-34(61)20-48-39(64)24(7)49-42(67)32(56(10)26(9)58)17-27-12-14-28(59)15-13-27/h12-15,21-25,29-32,36-38,57,59H,11,16-20H2,1-10H3,(H2,47,60)(H,48,64)(H,49,67)(H,50,65)(H,51,69)(H,52,66)(H,53,61)(H,54,70)(H,55,68)(H,62,63)(H,71,72)/t23-,24+,25-,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000162
PNG
(CHEMBL263439 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C48H71N11O16/c1-10-24(6)39(46(72)54-31(17-35(49)63)43(69)53-32(18-37(65)66)44(70)55-33(48(74)75)15-22(2)3)58-45(71)38(23(4)5)57-47(73)40(26(8)61)56-36(64)19-50-41(67)25(7)51-42(68)30(52-27(9)62)16-28-20-59(21-60)34-14-12-11-13-29(28)34/h11-14,20-26,30-33,38-40,61H,10,15-19H2,1-9H3,(H2,49,63)(H,50,67)(H,51,68)(H,52,62)(H,53,69)(H,54,72)(H,55,70)(H,56,64)(H,57,73)(H,58,71)(H,65,66)(H,74,75)/t24-,25+,26-,30+,31+,32+,33+,38+,39+,40+/m1/s1
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Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000155
PNG
(CHEMBL265013 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O16/c1-11-22(6)36(44(69)52-30(18-33(47)60)41(66)51-31(19-34(61)62)42(67)53-32(46(71)72)16-20(2)3)55-43(68)35(21(4)5)54-45(70)37(25(9)57)56-39(64)24(8)48-38(63)23(7)49-40(65)29(50-26(10)58)17-27-12-14-28(59)15-13-27/h12-15,20-25,29-32,35-37,57,59H,11,16-19H2,1-10H3,(H2,47,60)(H,48,63)(H,49,65)(H,50,58)(H,51,66)(H,52,69)(H,53,67)(H,54,70)(H,55,68)(H,56,64)(H,61,62)(H,71,72)/t22-,23+,24+,25-,29+,30+,31+,32+,35+,36+,37+/m1/s1
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Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368749
PNG
(CHEMBL1790913)
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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University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368745
PNG
(CHEMBL2369633)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N8O15/c1-25(55)39(54-44(66)31(48-26(2)56)20-27-12-6-3-7-13-27)45(67)52-32(21-28-14-8-4-9-15-28)41(63)50-33(23-36(47)57)42(64)49-30(18-19-37(58)59)40(62)51-34(24-38(60)61)43(65)53-35(46(68)69)22-29-16-10-5-11-17-29/h3-17,25,30-35,39,55H,18-24H2,1-2H3,(H2,47,57)(H,48,56)(H,49,64)(H,50,63)(H,51,62)(H,52,67)(H,53,65)(H,54,66)(H,58,59)(H,60,61)(H,68,69)/t25-,30+,31+,32+,33+,34+,35+,39+/m1/s1
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368754
PNG
(CHEMBL1790927)
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(N)=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/C41H56N8O13/c1-21(2)16-27(47-40(60)34(23(4)50)49-39(59)28(44-24(5)51)17-25-12-8-6-9-13-25)37(57)46-29(19-32(42)52)36(56)43-22(3)35(55)45-30(20-33(53)54)38(58)48-31(41(61)62)18-26-14-10-7-11-15-26/h6-15,21-23,27-31,34,50H,16-20H2,1-5H3,(H2,42,52)(H,43,56)(H,44,51)(H,45,55)(H,46,57)(H,47,60)(H,48,58)(H,49,59)(H,53,54)(H,61,62)/t22-,23-,27-,28-,29-,30-,31-,34-/m0/s1
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 25-29


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368764
PNG
(CHEMBL2369635)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C54H69N11O18/c1-28(57-31(4)67)46(74)56-27-42(69)58-29(2)47(75)60-37(23-33-16-10-6-11-17-33)52(80)65-45(30(3)66)53(81)63-36(22-32-14-8-5-9-15-32)49(77)61-38(25-41(55)68)50(78)59-35(20-21-43(70)71)48(76)62-39(26-44(72)73)51(79)64-40(54(82)83)24-34-18-12-7-13-19-34/h5-19,28-30,35-40,45,66H,20-27H2,1-4H3,(H2,55,68)(H,56,74)(H,57,67)(H,58,69)(H,59,78)(H,60,75)(H,61,77)(H,62,76)(H,63,81)(H,64,79)(H,65,80)(H,70,71)(H,72,73)(H,82,83)/t28-,29-,30+,35-,36-,37-,38-,39-,40-,45-/m0/s1
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368770
PNG
(CHEMBL1790906)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H61N7O12/c1-23(2)18-30(40(58)49-34(43(61)62)21-29-16-12-9-13-17-29)46-37(55)25(5)44-38(56)33(22-35(53)54)47-39(57)31(19-24(3)4)48-42(60)36(26(6)51)50-41(59)32(45-27(7)52)20-28-14-10-8-11-15-28/h8-17,23-26,30-34,36,51H,18-22H2,1-7H3,(H,44,56)(H,45,52)(H,46,55)(H,47,57)(H,48,60)(H,49,58)(H,50,59)(H,53,54)(H,61,62)/t25-,26-,30-,31-,32-,33-,34-,36-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 29-30


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000139
PNG
(2-[2-(2-{2-[2-(2-{2-[2-(2-Acetylamino-4-phenyl-but...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O15/c1-10-24(6)37(44(68)52-30(19-33(47)59)41(65)51-31(20-35(61)62)42(66)53-32(46(70)71)18-22(2)3)56-43(67)36(23(4)5)55-45(69)38(26(8)57)54-34(60)21-48-39(63)25(7)49-40(64)29(50-27(9)58)17-16-28-14-12-11-13-15-28/h11-15,22-26,29-32,36-38,57H,10,16-21H2,1-9H3,(H2,47,59)(H,48,63)(H,49,64)(H,50,58)(H,51,65)(H,52,68)(H,53,66)(H,54,60)(H,55,69)(H,56,67)(H,61,62)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368756
PNG
(CHEMBL1790917)
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(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C41H56N8O13/c1-21(2)16-27(47-40(60)34(23(4)50)49-39(59)28(44-24(5)51)17-25-12-8-6-9-13-25)37(57)46-30(20-33(53)54)36(56)43-22(3)35(55)45-29(19-32(42)52)38(58)48-31(41(61)62)18-26-14-10-7-11-15-26/h6-15,21-23,27-31,34,50H,16-20H2,1-5H3,(H2,42,52)(H,43,56)(H,44,51)(H,45,55)(H,46,57)(H,47,60)(H,48,58)(H,49,59)(H,53,54)(H,61,62)/t22-,23-,27-,28-,29-,30-,31-,34-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 32-38


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368746
PNG
(CHEMBL1790905)
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](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H55N7O12/c1-21(2)17-28(45-39(57)33(24(5)48)47-38(56)29(43-25(6)49)18-26-13-9-7-10-14-26)37(55)44-30(20-32(50)51)36(54)42-22(3)34(52)41-23(4)35(53)46-31(40(58)59)19-27-15-11-8-12-16-27/h7-16,21-24,28-31,33,48H,17-20H2,1-6H3,(H,41,52)(H,42,54)(H,43,49)(H,44,55)(H,45,57)(H,46,53)(H,47,56)(H,50,51)(H,58,59)/t22-,23-,24-,28-,29-,30-,31-,33-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 34-35


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50042881
PNG
(3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(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/C40H53N7O13/c1-21(2)16-27(44-34(53)22(3)41-36(55)28(43-24(5)48)17-25-12-8-6-9-13-25)38(57)46-29(19-32(49)50)37(56)42-23(4)35(54)45-30(20-33(51)52)39(58)47-31(40(59)60)18-26-14-10-7-11-15-26/h6-15,21-23,27-31H,16-20H2,1-5H3,(H,41,55)(H,42,56)(H,43,48)(H,44,53)(H,45,54)(H,46,57)(H,47,58)(H,49,50)(H,51,52)(H,59,60)/t22-,23-,27-,28-,29-,30-,31-/m0/s1
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 35-40


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain/Ribonucleoside-diphosphate reductase M2 chain/Ribonucleotide reductase


(Homo sapiens (Human))
BDBM50174197
PNG
((S)-3-(2-((3S,3aR,5S,7S,7aS)-7-((3-(9H-fluoren-9-y...)
Show SMILES CC(C)CO[C@@H]1C[C@H]2[C@H](O)CN(CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc3ccccc3)C(O)=O)[C@@H]2[C@@H](COC(=O)CCC2c3ccccc3-c3ccccc23)O1
Show InChI InChI=1S/C43H51N3O11/c1-25(2)23-56-40-19-32-35(47)21-46(22-37(48)44-33(20-38(49)50)42(52)45-34(43(53)54)18-26-10-4-3-5-11-26)41(32)36(57-40)24-55-39(51)17-16-31-29-14-8-6-12-27(29)28-13-7-9-15-30(28)31/h3-15,25,31-36,40-41,47H,16-24H2,1-2H3,(H,44,48)(H,45,52)(H,49,50)(H,53,54)/t32-,33-,34-,35+,36+,40-,41-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of mammalian ribonucleotide reductase (mRR)


Bioorg Med Chem Lett 15: 5146-9 (2005)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50042895
PNG
(3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(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/C40H53N7O14/c1-21(2)15-26(44-39(59)31(20-48)47-37(57)27(42-23(4)49)16-24-11-7-5-8-12-24)36(56)45-28(18-32(50)51)35(55)41-22(3)34(54)43-29(19-33(52)53)38(58)46-30(40(60)61)17-25-13-9-6-10-14-25/h5-14,21-22,26-31,48H,15-20H2,1-4H3,(H,41,55)(H,42,49)(H,43,54)(H,44,59)(H,45,56)(H,46,58)(H,47,57)(H,50,51)(H,52,53)(H,60,61)/t22-,26-,27-,28-,29-,30-,31-/m0/s1
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 40-42


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368750
PNG
(CHEMBL1790903)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)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/C44H53N7O14/c1-24(38(58)47-33(23-36(56)57)41(61)50-34(44(64)65)21-29-17-11-6-12-18-29)45-39(59)32(22-35(54)55)48-40(60)31(20-28-15-9-5-10-16-28)49-43(63)37(25(2)52)51-42(62)30(46-26(3)53)19-27-13-7-4-8-14-27/h4-18,24-25,30-34,37,52H,19-23H2,1-3H3,(H,45,59)(H,46,53)(H,47,58)(H,48,60)(H,49,63)(H,50,61)(H,51,62)(H,54,55)(H,56,57)(H,64,65)/t24-,25-,30-,31-,32-,33-,34-,37-/m0/s1
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University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 48-58


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
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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Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HSV-1 ribonucleotide reductase R1 protein binding; Range 30-60


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000136
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H72N10O16/c1-10-23(6)37(44(69)51-29(15-16-33(47)60)40(65)52-31(19-35(62)63)42(67)53-32(46(71)72)17-21(2)3)56-43(68)36(22(4)5)55-45(70)38(25(8)57)54-34(61)20-48-39(64)24(7)49-41(66)30(50-26(9)58)18-27-11-13-28(59)14-12-27/h11-14,21-25,29-32,36-38,57,59H,10,15-20H2,1-9H3,(H2,47,60)(H,48,64)(H,49,66)(H,50,58)(H,51,69)(H,52,65)(H,53,67)(H,54,61)(H,55,70)(H,56,68)(H,62,63)(H,71,72)/t23-,24+,25-,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 7.30E+4n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368745
PNG
(CHEMBL2369633)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N8O15/c1-25(55)39(54-44(66)31(48-26(2)56)20-27-12-6-3-7-13-27)45(67)52-32(21-28-14-8-4-9-15-28)41(63)50-33(23-36(47)57)42(64)49-30(18-19-37(58)59)40(62)51-34(24-38(60)61)43(65)53-35(46(68)69)22-29-16-10-5-11-17-29/h3-17,25,30-35,39,55H,18-24H2,1-2H3,(H2,47,57)(H,48,56)(H,49,64)(H,50,63)(H,51,62)(H,52,67)(H,53,65)(H,54,66)(H,58,59)(H,60,61)(H,68,69)/t25-,30+,31+,32+,33+,34+,35+,39+/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368747
PNG
(CHEMBL1790911)
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)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H53N7O14/c1-21(2)15-26(45-39(59)34(22(3)48)47-38(58)27(42-23(4)49)16-24-11-7-5-8-12-24)36(56)44-28(18-32(51)52)35(55)41-20-31(50)43-29(19-33(53)54)37(57)46-30(40(60)61)17-25-13-9-6-10-14-25/h5-14,21-22,26-30,34,48H,15-20H2,1-4H3,(H,41,55)(H,42,49)(H,43,50)(H,44,56)(H,45,59)(H,46,57)(H,47,58)(H,51,52)(H,53,54)(H,60,61)/t22-,26-,27-,28-,29-,30-,34-/m0/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 110-230


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain/Ribonucleotide reductase


(Homo sapiens (Human))
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 2.44E+5n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ribonucleotide reductase p53R2/M1 expressed in Escherichia coli BL21 (DE3) after 30 mins by [3H]CDP reduction method


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

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368753
PNG
(CHEMBL1790916)
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](C)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/C40H55N7O12/c1-21(2)17-28(45-39(57)33(24(5)48)47-38(56)29(43-25(6)49)18-26-13-9-7-10-14-26)36(54)42-22(3)34(52)41-23(4)35(53)44-30(20-32(50)51)37(55)46-31(40(58)59)19-27-15-11-8-12-16-27/h7-16,21-24,28-31,33,48H,17-20H2,1-6H3,(H,41,52)(H,42,54)(H,43,49)(H,44,53)(H,45,57)(H,46,55)(H,47,56)(H,50,51)(H,58,59)/t22-,23-,24-,28-,29-,30-,31-,33-/m0/s1
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n/an/a 2.86E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 286-336


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000158
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H73N11O15/c1-10-23(6)37(44(69)53-31(19-34(48)62)42(67)52-29(15-16-33(47)61)40(65)54-32(46(71)72)17-21(2)3)57-43(68)36(22(4)5)56-45(70)38(25(8)58)55-35(63)20-49-39(64)24(7)50-41(66)30(51-26(9)59)18-27-11-13-28(60)14-12-27/h11-14,21-25,29-32,36-38,58,60H,10,15-20H2,1-9H3,(H2,47,61)(H2,48,62)(H,49,64)(H,50,66)(H,51,59)(H,52,67)(H,53,69)(H,54,65)(H,55,63)(H,56,70)(H,57,68)(H,71,72)/t23-,24+,25-,29+,30+,31+,32+,36+,37+,38+/m1/s1
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n/an/a 3.45E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368763
PNG
(CHEMBL1790921)
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](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C34H45N5O10/c1-19(2)15-24(30(44)36-26(18-28(42)43)31(45)38-27(34(48)49)17-23-13-9-6-10-14-23)37-33(47)29(20(3)40)39-32(46)25(35-21(4)41)16-22-11-7-5-8-12-22/h5-14,19-20,24-27,29,40H,15-18H2,1-4H3,(H,35,41)(H,36,44)(H,37,47)(H,38,45)(H,39,46)(H,42,43)(H,48,49)/t20-,24-,25-,26-,27-,29-/m0/s1
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n/an/a 3.64E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 364-460


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000156
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H69N9O16/c1-10-22(6)35(42(66)50-31(19-54)40(64)48-29(17-33(59)60)39(63)49-30(44(68)69)15-20(2)3)53-41(65)34(21(4)5)52-43(67)36(24(8)55)51-32(58)18-45-37(61)23(7)46-38(62)28(47-25(9)56)16-26-11-13-27(57)14-12-26/h11-14,20-24,28-31,34-36,54-55,57H,10,15-19H2,1-9H3,(H,45,61)(H,46,62)(H,47,56)(H,48,64)(H,49,63)(H,50,66)(H,51,58)(H,52,67)(H,53,65)(H,59,60)(H,68,69)/t22-,23+,24-,28+,29+,30+,31+,34+,35+,36+/m1/s1
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n/an/a 3.95E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368755
PNG
(CHEMBL1790912)
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](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C42H57N7O14/c1-22(2)18-29(47-41(61)35(24(4)50)49-40(60)30(44-25(5)51)19-26-12-8-6-9-13-26)39(59)46-31(21-34(54)55)38(58)43-23(3)36(56)45-28(16-17-33(52)53)37(57)48-32(42(62)63)20-27-14-10-7-11-15-27/h6-15,22-24,28-32,35,50H,16-21H2,1-5H3,(H,43,58)(H,44,51)(H,45,56)(H,46,59)(H,47,61)(H,48,57)(H,49,60)(H,52,53)(H,54,55)(H,62,63)/t23-,24-,28-,29-,30-,31-,32-,35-/m0/s1
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n/an/a 4.50E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 450-620


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368762
PNG
(CHEMBL2369634)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H47N7O14/c1-19(45)31(39-20(2)46)36(56)43-24(15-21-9-5-3-6-10-21)33(53)41-25(17-28(38)47)34(54)40-23(13-14-29(48)49)32(52)42-26(18-30(50)51)35(55)44-27(37(57)58)16-22-11-7-4-8-12-22/h3-12,19,23-27,31,45H,13-18H2,1-2H3,(H2,38,47)(H,39,46)(H,40,54)(H,41,53)(H,42,52)(H,43,56)(H,44,55)(H,48,49)(H,50,51)(H,57,58)/t19-,23+,24+,25+,26+,27+,31+/m1/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50368762
PNG
(CHEMBL2369634)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H47N7O14/c1-19(45)31(39-20(2)46)36(56)43-24(15-21-9-5-3-6-10-21)33(53)41-25(17-28(38)47)34(54)40-23(13-14-29(48)49)32(52)42-26(18-30(50)51)35(55)44-27(37(57)58)16-22-11-7-4-8-12-22/h3-12,19,23-27,31,45H,13-18H2,1-2H3,(H2,38,47)(H,39,46)(H,40,54)(H,41,53)(H,42,52)(H,43,56)(H,44,55)(H,48,49)(H,50,51)(H,57,58)/t19-,23+,24+,25+,26+,27+,31+/m1/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on mammalian ribonucleotide reductase


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000135
PNG
(CHEMBL415204 | Ribonucleotide reductase inhibiting...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H71N11O15/c1-10-22(6)36(43(68)52-30(18-33(47)61)40(65)51-29(17-32(46)60)41(66)53-31(45(70)71)15-20(2)3)56-42(67)35(21(4)5)55-44(69)37(24(8)57)54-34(62)19-48-38(63)23(7)49-39(64)28(50-25(9)58)16-26-11-13-27(59)14-12-26/h11-14,20-24,28-31,35-37,57,59H,10,15-19H2,1-9H3,(H2,46,60)(H2,47,61)(H,48,63)(H,49,64)(H,50,58)(H,51,65)(H,52,68)(H,53,66)(H,54,62)(H,55,69)(H,56,67)(H,70,71)/t22-,23+,24-,28+,29+,30+,31+,35+,36+,37+/m1/s1
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n/an/a 6.40E+5n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding


Citation and Details
More data for this
Ligand-Target Pair
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