Found 33 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000150
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000141
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000153
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000152
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000146
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000165
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000154
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000149
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000166
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000163
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000164
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000157
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000137
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000145
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000148
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000134
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000159
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000151
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000161
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000138
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000162
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000155
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.43E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000139
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000140
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000136
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000158
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.45E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000156
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.95E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000135
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.40E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000144
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.50E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000160
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000143
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000147
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit
(Homo sapiens (Human)) | BDBM50000142
(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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2348JB2 |
More data for this
Ligand-Target Pair | |
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