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SMILES: C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1

InChI Key: InChIKey=MCNLOUKNJDKJSH-BAABZTOOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50391341   
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
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391341
PNG
(CHEMBL2147987)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 |r|
Show InChI InChI=1S/C19H23F2N3O5S/c1-14(15-6-5-7-16(12-15)29-13-17(20)21)23-30(27,28)11-4-2-3-9-24-10-8-18(25)22-19(24)26/h2-3,5-8,10,12,14,17,23H,4,9,11,13H2,1H3,(H,22,25,26)/b3-2+/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated formation of [5-3H]dUMP expressed in Escherichia coli BL21 (DE3) after 15 mins by HPLC analysis


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50391341
PNG
(CHEMBL2147987)
Show SMILES C[C@@H](NS(=O)(=O)CC\C=C\Cn1ccc(=O)[nH]c1=O)c1cccc(OCC(F)F)c1 |r|
Show InChI InChI=1S/C19H23F2N3O5S/c1-14(15-6-5-7-16(12-15)29-13-17(20)21)23-30(27,28)11-4-2-3-9-24-10-8-18(25)22-19(24)26/h2-3,5-8,10,12,14,17,23H,4,9,11,13H2,1H3,(H,22,25,26)/b3-2+/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 96n/an/an/an/a



Taiho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human dUTPase-mediated cell proliferation in HeLa S3 cells assessed as compound concentration required to reduce 50% of 1 uM of FdUrd T...


J Med Chem 55: 5483-96 (2012)


Article DOI: 10.1021/jm300416h
BindingDB Entry DOI: 10.7270/Q2C53MZW
More data for this
Ligand-Target Pair