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Compile Data Set for Download or QSAR

Found 26 hits of ic50 for UniProtKB: P32320   
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
Cytidine deaminase


(Homo sapiens (Human))
BDBM159790
PNG
(US9040501, 876400)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC=CCNC1=O |r,c:12|
Show InChI InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
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n/an/a 101n/an/an/an/a7.4n/a



Otsuka Pharmaceutical Co., Ltd.

US Patent


Assay Description
The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol....


US Patent US9040501 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QD1
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50421666
PNG
(CHEMBL2311128 | US9040501, 876404)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O
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 113n/an/an/an/a7.4n/a



Otsuka Pharmaceutical Co., Ltd.

US Patent


Assay Description
The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol....


US Patent US9040501 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QD1
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM159792
PNG
(US9040501, 878895)
Show SMILES OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1CC=CCNC1=O |r,c:12|
Show InChI InChI=1S/C10H15FN2O4/c11-7-8(15)6(5-14)17-9(7)13-4-2-1-3-12-10(13)16/h1-2,6-9,14-15H,3-5H2,(H,12,16)/t6-,7+,8-,9-/m1/s1
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n/an/a 140n/an/an/an/a7.4n/a



Otsuka Pharmaceutical Co., Ltd.

US Patent


Assay Description
The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol....


US Patent US9040501 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QD1
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))
BDBM111578
PNG
(US8618075, 2a)
Show SMILES OC[C@H]1OC([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/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM159789
PNG
(US9040501, 876437)
Show SMILES OC[C@H]1O[C@@H](N2CC=CCNC2=O)C(F)(F)[C@@H]1O |r,c:7|
Show InChI InChI=1S/C10H14F2N2O4/c11-10(12)7(16)6(5-15)18-8(10)14-4-2-1-3-13-9(14)17/h1-2,6-8,15-16H,3-5H2,(H,13,17)/t6-,7-,8-/m1/s1
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n/an/a 237n/an/an/an/a7.4n/a



Otsuka Pharmaceutical Co., Ltd.

US Patent


Assay Description
The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol....


US Patent US9040501 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QD1
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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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))
BDBM111577
PNG
(US8618075, 1a)
Show SMILES OC[C@H]1OC(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 400n/an/an/an/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM111579
PNG
(US8618075, 1)
Show SMILES OC[C@H]1OC(N2CCC(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 400n/an/an/an/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
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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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))
BDBM111585
PNG
(US8618075, 3a)
Show SMILES OC[C@H]1OC([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 400n/an/an/an/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM159791
PNG
(US9040501, 878519)
Show SMILES OC[C@H]1O[C@H](N2CC=CCNC2=O)C(F)(F)[C@@H]1O |r,c:7|
Show InChI InChI=1S/C10H14F2N2O4/c11-10(12)7(16)6(5-15)18-8(10)14-4-2-1-3-13-9(14)17/h1-2,6-8,15-16H,3-5H2,(H,13,17)/t6-,7-,8+/m1/s1
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n/an/a 1.62E+3n/an/an/an/a7.4n/a



Otsuka Pharmaceutical Co., Ltd.

US Patent


Assay Description
The cytidine deaminase (CDA) enzymatic assay described by Cacciamani, T. et al., Arch. Biochem. Biophys. 1991, 290, 285-92; Cohen R. et al., J. Biol....


US Patent US9040501 (2015)


BindingDB Entry DOI: 10.7270/Q22R3QD1
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM111581
PNG
(US8618075, 2)
Show SMILES OC[C@H]1OC([C@@H](F)[C@@H]1O)N1CCC(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 2.00E+3n/an/an/an/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM111582
PNG
(US8618075, 3)
Show SMILES OC[C@H]1OC([C@H](F)[C@@H]1O)N1CCC(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 2.00E+3n/an/an/an/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
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))
BDBM111580
PNG
(US8618075, 3b)
Show SMILES OC[C@H]1OC([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/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM111584
PNG
(US8618075, 2b)
Show SMILES OC[C@H]1OC([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/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM111583
PNG
(US8618075, 1b)
Show SMILES OC[C@H]1OC(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/a7.4n/a



Eisai Inc.

US Patent


Assay Description
The procedure to determine CDA enzymatic activity is based on published methodologies (for example, Cacciamani, T. et al., Arch. Biochem. Biophys. 19...


US Patent US8618075 (2013)


BindingDB Entry DOI: 10.7270/Q20000RG
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))
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
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