Found 6 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/subunit M2
(Homo sapiens (Human)) | BDBM50153689
((S)-N-{(S)-1-[(S)-2-Carboxy-1-((S)-1-carboxy-2-phe...)Show SMILES CC(C)C[C@H](NC(=O)C(N(C)C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C56H66N6O13/c1-33(2)27-42(60-54(71)49(36-21-11-6-12-22-36)62(3)56(74)75-32-41-39-25-15-13-23-37(39)38-24-14-16-26-40(38)41)50(67)58-44(30-47(63)64)52(69)57-43(28-34-17-7-4-8-18-34)51(68)59-45(31-48(65)66)53(70)61-46(55(72)73)29-35-19-9-5-10-20-35/h5-6,9-16,19-26,33-34,41-46,49H,4,7-8,17-18,27-32H2,1-3H3,(H,57,69)(H,58,67)(H,59,68)(H,60,71)(H,61,70)(H,63,64)(H,65,66)(H,72,73)/t42-,43-,44-,45-,46-,49?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay |
Bioorg Med Chem Lett 14: 5301-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50153691
((S)-3-[(S)-2-((S)-3-Carboxy-2-{(S)-2-[2-(9H-fluore...)Show SMILES CC(C)C[C@H](NC(=O)C(C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C55H63N5O13/c1-32(2)26-41(59-53(69)48(35-20-10-5-11-21-35)55(72)73-31-40-38-24-14-12-22-36(38)37-23-13-15-25-39(37)40)49(65)57-43(29-46(61)62)51(67)56-42(27-33-16-6-3-7-17-33)50(66)58-44(30-47(63)64)52(68)60-45(54(70)71)28-34-18-8-4-9-19-34/h4-5,8-15,18-25,32-33,40-45,48H,3,6-7,16-17,26-31H2,1-2H3,(H,56,67)(H,57,65)(H,58,66)(H,59,69)(H,60,68)(H,61,62)(H,63,64)(H,70,71)/t41-,42-,43-,44-,45-,48?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay |
Bioorg Med Chem Lett 14: 5301-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50153687
((S)-4-{(S)-1-[(S)-2-Carboxy-1-((S)-1-carboxy-2-phe...)Show SMILES CC(C)C[C@H](NC(=O)C(C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C56H65N5O13/c1-33(2)28-43(60-54(70)49(36-20-10-5-11-21-36)56(73)74-32-41-39-24-14-12-22-37(39)38-23-13-15-25-40(38)41)51(67)57-42(26-27-47(62)63)50(66)58-44(29-34-16-6-3-7-17-34)52(68)59-45(31-48(64)65)53(69)61-46(55(71)72)30-35-18-8-4-9-19-35/h4-5,8-15,18-25,33-34,41-46,49H,3,6-7,16-17,26-32H2,1-2H3,(H,57,67)(H,58,66)(H,59,68)(H,60,70)(H,61,69)(H,62,63)(H,64,65)(H,71,72)/t42-,43-,44-,45-,46-,49?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay |
Bioorg Med Chem Lett 14: 5301-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50153688
((S)-3-[(S)-2-((S)-2-{(S)-2-[(2S,3R)-2-((S)-2-Acety...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay |
Bioorg Med Chem Lett 14: 5301-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50153690
((S)-2-((S)-2-{(S)-2-[(S)-2-(9H-Fluoren-9-ylmethoxy...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C49H49N5O7/c1-30(2)44(47(57)51-41(25-31-15-5-3-6-16-31)45(55)52-43(48(58)59)26-32-17-7-4-8-18-32)54-46(56)42(27-33-28-50-40-24-14-13-19-34(33)40)53-49(60)61-29-39-37-22-11-9-20-35(37)36-21-10-12-23-38(36)39/h3-24,28,30,39,41-44,50H,25-27,29H2,1-2H3,(H,51,57)(H,52,55)(H,53,60)(H,54,56)(H,58,59)/t41-,42-,43-,44-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay |
Bioorg Med Chem Lett 14: 5301-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF |
More data for this
Ligand-Target Pair | |
Ribonucleoside-diphosphate reductase large subunit/subunit M2
(Homo sapiens (Human)) | BDBM50153686
((S)-N-((S)-1-Carboxy-2-phenyl-ethyl)-3-{(S)-2-[(S)...)Show SMILES OC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C48H45N5O9/c54-43(55)26-41(46(58)52-42(47(59)60)24-30-15-5-2-6-16-30)51-44(56)39(23-29-13-3-1-4-14-29)50-45(57)40(25-31-27-49-38-22-12-11-17-32(31)38)53-48(61)62-28-37-35-20-9-7-18-33(35)34-19-8-10-21-36(34)37/h1-22,27,37,39-42,49H,23-26,28H2,(H,50,57)(H,51,56)(H,52,58)(H,53,61)(H,54,55)(H,59,60)/t39-,40-,41-,42-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Inhibition of mammalian ribonucleotide reductase in a standard dTTP-dependent GDP reductase assay |
Bioorg Med Chem Lett 14: 5301-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF |
More data for this
Ligand-Target Pair | |
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