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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

InChI Key: InChIKey=BVAQQWNLNCOXMG-HJEOZUGTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50153691   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ribonucleoside-diphosphate reductase large subunit/subunit M2


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

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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.08.028
BindingDB Entry DOI: 10.7270/Q25Q4VJF
More data for this
Ligand-Target Pair