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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase RR1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 RR1


(Homo sapiens)
BDBM50051772
PNG
((Z)-N'-(5-amino-6-formylpyridin-2-yl)carbamohydraz...)
Show SMILES NC(=S)NNc1ccc(N)c(C=O)n1
Show InChI InChI=1S/C7H9N5OS/c8-4-1-2-6(10-5(4)3-13)11-12-7(9)14/h1-3H,8H2,(H,10,11)(H3,9,12,14)
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n/an/a 820n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051776
PNG
((1Z,N'E)-N'-((5-(ethylamino)pyridin-2-yl)methylene...)
Show SMILES CCNc1ccc(C=NNC(N)=S)nc1
Show InChI InChI=1S/C9H13N5S/c1-2-11-7-3-4-8(12-5-7)6-13-14-9(10)15/h3-6,11H,2H2,1H3,(H3,10,14,15)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051768
PNG
((1Z,N'E)-N'-((3-(methylamino)pyridin-2-yl)methylen...)
Show SMILES CNc1cccnc1C=NNC(N)=S
Show InChI InChI=1S/C8H11N5S/c1-10-6-3-2-4-11-7(6)5-12-13-8(9)14/h2-5,10H,1H3,(H3,9,13,14)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051769
PNG
((1Z,N'E)-N'-((5-(methylamino)pyridin-2-yl)methylen...)
Show SMILES CNc1ccc(C=NNC(N)=S)nc1
Show InChI InChI=1S/C8H11N5S/c1-10-6-2-3-7(11-4-6)5-12-13-8(9)14/h2-5,10H,1H3,(H3,9,13,14)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051767
PNG
((1Z,N'E)-N'-((5-(propylamino)pyridin-2-yl)methylen...)
Show SMILES CCCNc1ccc(C=NNC(N)=S)nc1
Show InChI InChI=1S/C10H15N5S/c1-2-5-12-8-3-4-9(13-6-8)7-14-15-10(11)16/h3-4,6-7,12H,2,5H2,1H3,(H3,11,15,16)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051775
PNG
((1Z,N'E)-N'-((5-(allylamino)pyridin-2-yl)methylene...)
Show SMILES NC(=S)NN=Cc1ccc(NCC=C)cn1
Show InChI InChI=1S/C10H13N5S/c1-2-5-12-8-3-4-9(13-6-8)7-14-15-10(11)16/h2-4,6-7,12H,1,5H2,(H3,11,15,16)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051774
PNG
((1Z,N'E)-N'-((3-(allylamino)pyridin-2-yl)methylene...)
Show SMILES NC(=S)NN=Cc1ncccc1NCC=C
Show InChI InChI=1S/C10H13N5S/c1-2-5-12-8-4-3-6-13-9(8)7-14-15-10(11)16/h2-4,6-7,12H,1,5H2,(H3,11,15,16)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051777
PNG
((1Z,N'E)-N'-((5-(aminomethyl)pyridin-2-yl)methylen...)
Show SMILES NCc1ccc(C=NNC(N)=S)nc1
Show InChI InChI=1S/C8H11N5S/c9-3-6-1-2-7(11-4-6)5-12-13-8(10)14/h1-2,4-5H,3,9H2,(H3,10,13,14)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051766
PNG
((1Z,N'E)-N'-((5-(butylamino)pyridin-2-yl)methylene...)
Show SMILES CCCCNc1ccc(C=NNC(N)=S)nc1
Show InChI InChI=1S/C11H17N5S/c1-2-3-6-13-9-4-5-10(14-7-9)8-15-16-11(12)17/h4-5,7-8,13H,2-3,6H2,1H3,(H3,12,16,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051773
PNG
((Z)-N'-(3-amino-6-formylpyridin-2-yl)carbamohydraz...)
Show SMILES NC(=S)NNc1nc(C=O)ccc1N
Show InChI InChI=1S/C7H9N5OS/c8-5-2-1-4(3-13)10-6(5)11-12-7(9)14/h1-3H,8H2,(H,10,11)(H3,9,12,14)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051771
PNG
((1Z,N'E)-N'-((3,5-diaminopyridin-2-yl)methylene)ca...)
Show SMILES NC(=S)NN=Cc1ncc(N)cc1N
Show InChI InChI=1S/C7H10N6S/c8-4-1-5(9)6(11-2-4)3-12-13-7(10)14/h1-3H,8-9H2,(H3,10,13,14)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50051770
PNG
((1Z,N'E)-N'-((5-amino-4-(morpholinomethyl)pyridin-...)
Show SMILES NC(=S)NN=Cc1cc(CN2CCOCC2)c(N)cn1
Show InChI InChI=1S/C12H18N6OS/c13-11-7-15-10(6-16-17-12(14)20)5-9(11)8-18-1-3-19-4-2-18/h5-7H,1-4,8,13H2,(H3,14,17,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory activity against CDP reductase.


Citation and Details
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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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n/an/a 1.38E+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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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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n/an/a 1.43E+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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(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 6.00E+4n/an/an/an/an/an/a



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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50000144
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(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)52-31(19-33(47)60)42(67)51-29(15-16-35(62)63)40(65)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,51,67)(H,52,69)(H,53,65)(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 6.50E+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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50368685
PNG
(CHEMBL1790786)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CC)CC)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/C30H51N5O9/c1-7-18(6)25(34-26(39)19(8-2)9-3)29(42)32-20(15-23(36)35-12-10-11-13-35)27(40)31-21(16-24(37)38)28(41)33-22(30(43)44)14-17(4)5/h17-22,25H,7-16H2,1-6H3,(H,31,40)(H,32,42)(H,33,41)(H,34,39)(H,37,38)(H,43,44)/t18-,20-,21-,22-,25-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50000142
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](CS)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H70N10O14S/c1-10-22(6)35(42(65)49-29(17-32(45)58)39(62)51-31(19-69)40(63)50-30(44(67)68)15-20(2)3)54-41(64)34(21(4)5)53-43(66)36(24(8)55)52-33(59)18-46-37(60)23(7)47-38(61)28(48-25(9)56)16-26-11-13-27(57)14-12-26/h11-14,20-24,28-31,34-36,55,57,69H,10,15-19H2,1-9H3,(H2,45,58)(H,46,60)(H,47,61)(H,48,56)(H,49,65)(H,50,63)(H,51,62)(H,52,59)(H,53,66)(H,54,64)(H,67,68)/t22-,23+,24-,28+,29+,30+,31+,34+,35+,36+/m1/s1
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n/an/a>1.00E+6n/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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50046043
PNG
(2-(3-Carboxy-2-{3-ethoxycarbonyl-2-[2-(2-ethyl-but...)
Show SMILES CCOC(=O)C[C@H](NC(=O)[C@@H](NC(=O)C(CC)CC)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C28H48N4O10/c1-9-16(10-2)23(36)32-22(28(6,7)8)26(39)30-18(14-21(35)42-11-3)25(38)29-17(13-20(33)34)24(37)31-19(27(40)41)12-15(4)5/h15-19,22H,9-14H2,1-8H3,(H,29,38)(H,30,39)(H,31,37)(H,32,36)(H,33,34)(H,40,41)/t17-,18-,19-,22+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50033455
PNG
((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(2-ethyl-buty...)
Show SMILES CCC(CC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C32H55N5O9/c1-10-19(11-2)25(39)35-23(31(5,6)7)27(41)33-20(17-22(38)37-14-12-13-15-37)26(40)36-24(32(8,9)30(45)46)28(42)34-21(29(43)44)16-18(3)4/h18-21,23-24H,10-17H2,1-9H3,(H,33,41)(H,34,42)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t20-,21-,23+,24+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50368682
PNG
(CHEMBL1790784)
Show SMILES CCC(CC)C(=O)N[C@@H]([C@@H](C)O)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/C28H47N5O10/c1-6-17(7-2)24(38)32-23(16(5)34)27(41)30-18(13-21(35)33-10-8-9-11-33)25(39)29-19(14-22(36)37)26(40)31-20(28(42)43)12-15(3)4/h15-20,23,34H,6-14H2,1-5H3,(H,29,39)(H,30,41)(H,31,40)(H,32,38)(H,36,37)(H,42,43)/t16-,18+,19+,20+,23+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50046031
PNG
(2-(3-Carboxy-2-{2-[2-(2-ethyl-butyrylamino)-3,3-di...)
Show SMILES CCC(CC)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](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C30H51N5O9/c1-8-18(9-2)25(39)34-24(30(5,6)7)28(42)32-19(15-22(36)35-12-10-11-13-35)26(40)31-20(16-23(37)38)27(41)33-21(29(43)44)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,31,40)(H,32,42)(H,33,41)(H,34,39)(H,37,38)(H,43,44)/t19-,20-,21-,24+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Bio-M£ga/Boehringer Ingelheim Research Inc.

Curated by ChEMBL


Assay Description
Tested for inhibition of human ribonucleotide reductase


J Med Chem 36: 3005-9 (1993)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50000147
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](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H70N10O15/c1-10-22(6)35(42(66)49-29(17-32(45)59)39(63)51-31(19-55)40(64)50-30(44(68)69)15-20(2)3)54-41(65)34(21(4)5)53-43(67)36(24(8)56)52-33(60)18-46-37(61)23(7)47-38(62)28(48-25(9)57)16-26-11-13-27(58)14-12-26/h11-14,20-24,28-31,34-36,55-56,58H,10,15-19H2,1-9H3,(H2,45,59)(H,46,61)(H,47,62)(H,48,57)(H,49,66)(H,50,64)(H,51,63)(H,52,60)(H,53,67)(H,54,65)(H,68,69)/t22-,23+,24-,28+,29+,30+,31+,34+,35+,36+/m1/s1
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n/an/a>1.00E+6n/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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50000160
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...)
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](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(C)C)C(O)=O
Show InChI InChI=1S/C44H68N10O16/c1-19(2)14-30(44(69)70)51-40(65)29(17-33(60)61)49-39(64)28(16-31(45)58)50-41(66)34(20(3)4)53-42(67)35(21(5)6)54-43(68)36(23(8)55)52-32(59)18-46-37(62)22(7)47-38(63)27(48-24(9)56)15-25-10-12-26(57)13-11-25/h10-13,19-23,27-30,34-36,55,57H,14-18H2,1-9H3,(H2,45,58)(H,46,62)(H,47,63)(H,48,56)(H,49,64)(H,50,66)(H,51,65)(H,52,59)(H,53,67)(H,54,68)(H,60,61)(H,69,70)/t22-,23+,27-,28-,29-,30-,34+,35-,36-/m0/s1
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n/an/a>1.00E+6n/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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase RR1


(Homo sapiens)
BDBM50000143
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>1.00E+6n/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


J Med Chem 35: 346-50 (1992)

More data for this
Ligand-Target Pair
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