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PubMed code 24520856

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007037
PNG
(CHEBI:23774 | CHEMBL3237555)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(=O)NC1=O |r|
Show InChI InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
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PubMed
4.00E+4n/an/an/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cytidine deaminase by spectrophotometrically


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007025
PNG
(TETRAHYDROURIDINE)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)NC1=O |r|
Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1
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PubMed
4.40E+5n/an/an/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cytidine deaminase by spectrophotometrically


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007030
PNG
(CHEMBL3237548)
Show SMILES OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N1CC[C@@H](O)NC1=O |r|
Show InChI InChI=1S/C9H15FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4-8,13-15H,1-3H2,(H,11,16)/t4-,5-,6-,7-,8-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007025
PNG
(TETRAHYDROURIDINE)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)NC1=O |r|
Show InChI InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007029
PNG
(CHEMBL3237547)
Show SMILES OC[C@H]1O[C@@H](N2CC[C@@H](O)NC2=O)C(F)(F)[C@@H]1O |r|
Show InChI InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1
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PubMed
n/an/a 400n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007031
PNG
(CHEMBL3237549)
Show SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1CC[C@@H](O)NC1=O |r|
Show InChI InChI=1S/C9H15FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4-8,13-15H,1-3H2,(H,11,16)/t4-,5-,6+,7-,8-/m1/s1
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PubMed
n/an/a 400n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007033
PNG
(CHEMBL3237551)
Show SMILES OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N1CC[C@H](O)NC1=O |r|
Show InChI InChI=1S/C9H15FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4-8,13-15H,1-3H2,(H,11,16)/t4-,5+,6-,7-,8-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007034
PNG
(CHEMBL3237552)
Show SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1CC[C@H](O)NC1=O |r|
Show InChI InChI=1S/C9H15FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4-8,13-15H,1-3H2,(H,11,16)/t4-,5+,6+,7-,8-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007032
PNG
(CHEMBL3237550)
Show SMILES OC[C@H]1O[C@@H](N2CC[C@H](O)NC2=O)C(F)(F)[C@@H]1O |r|
Show InChI InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5+,6-,7-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007028
PNG
(CHEMBL3237546)
Show SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1CCC(=O)NC1=O |r|
Show InChI InChI=1S/C9H13FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4,6-8,13,15H,1-3H2,(H,11,14,16)/t4-,6+,7-,8-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007026
PNG
(CHEMBL3237544)
Show SMILES OC[C@H]1O[C@@H](N2CCC(=O)NC2=O)C(F)(F)[C@@H]1O |r|
Show InChI InChI=1S/C9H12F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4,6-7,14,16H,1-3H2,(H,12,15,17)/t4-,6-,7-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007027
PNG
(CHEMBL3237545)
Show SMILES OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N1CCC(=O)NC1=O |r|
Show InChI InChI=1S/C9H13FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4,6-8,13,15H,1-3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
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n/an/a 7.70E+4n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007036
PNG
(CHEMBL3237554)
Show SMILES OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N1CCCNC1=O |r|
Show InChI InChI=1S/C9H15FN2O4/c10-6-7(14)5(4-13)16-8(6)12-3-1-2-11-9(12)15/h5-8,13-14H,1-4H2,(H,11,15)/t5-,6-,7-,8-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007035
PNG
(CHEMBL3237553)
Show SMILES OC[C@H]1O[C@@H](N2CCCNC2=O)C(F)(F)[C@@H]1O |r|
Show InChI InChI=1S/C9H14F2N2O4/c10-9(11)6(15)5(4-14)17-7(9)13-3-1-2-12-8(13)16/h5-7,14-15H,1-4H2,(H,12,16)/t5-,6-,7-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation


J Med Chem 57: 2582-8 (2014)


Article DOI: 10.1021/jm401856k
BindingDB Entry DOI: 10.7270/Q2NK3GJG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%