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Compile Data Set for Download or QSAR

Found 25 hits of ki 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))
BDBM50065262
PNG
(1-((3R,4S)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES OCC1OC([C@H](O)[C@@H]1O)N1C=CC(O)NC1=O |c:11|
Show InChI InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4-8,12-15H,3H2,(H,10,16)/t4?,5?,6-,7-,8?/m1/s1
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0.00120n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against cytidine deaminase.


J Med Chem 41: 2572-8 (1998)


Article DOI: 10.1021/jm980111x
BindingDB Entry DOI: 10.7270/Q2KW5F6T
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50367034
PNG
(CHEMBL610997)
Show SMILES OC[C@H]1OC([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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25n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50367034
PNG
(CHEMBL610997)
Show SMILES OC[C@H]1OC([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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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of human liver


J Med Chem 24: 662-6 (1981)


BindingDB Entry DOI: 10.7270/Q2JM2B6C
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50391219
PNG
(CHEMBL2093931)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r|
Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cytidine Deaminase Inhibition in human liver


J Med Chem 23: 713-5 (1980)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50391219
PNG
(CHEMBL2093931)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r|
Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of human liver


J Med Chem 24: 662-6 (1981)


BindingDB Entry DOI: 10.7270/Q2JM2B6C
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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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cytidine Deaminase Inhibition in human liver


J Med Chem 23: 713-5 (1980)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50366986
PNG
(CHEMBL607779)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCCCNC1=O |r|
Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cytidine Deaminase Inhibition in human liver


J Med Chem 23: 713-5 (1980)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50025464
PNG
(1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCCCNC1=O
Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of human liver


J Med Chem 24: 662-6 (1981)


BindingDB Entry DOI: 10.7270/Q2JM2B6C
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50366986
PNG
(CHEMBL607779)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCCCNC1=O |r|
Show InChI InChI=1S/C10H18N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9?/m1/s1
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400n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
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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400n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50391219
PNG
(CHEMBL2093931)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CC[C@@H](O)CNC1=O |r|
Show InChI InChI=1S/C10H18N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h5-9,13-16H,1-4H2,(H,11,17)/t5-,6-,7-,8-,9-/m1/s1
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900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cytidine Deaminase Inhibition in human liver


J Med Chem 23: 713-5 (1980)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50367350
PNG
(CHEMBL603590)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cccnc1=O |r|
Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8?/m1/s1
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2.00E+3n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity for human cytidine deaminase


J Med Chem 48: 658-60 (2005)


Article DOI: 10.1021/jm0496279
BindingDB Entry DOI: 10.7270/Q2M61M1J
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50065260
PNG
(1-((3R,4S)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES OCC1OC([C@H](O)[C@@H]1O)n1cccnc1=O
Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5?,6-,7-,8?/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Apparent Ki (binding affinity) was calculated for the compound against cytidine deaminase.


J Med Chem 41: 2572-8 (1998)


Article DOI: 10.1021/jm980111x
BindingDB Entry DOI: 10.7270/Q2KW5F6T
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50366985
PNG
(CHEMBL608656)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCNC(=O)C1 |r|
Show InChI InChI=1S/C9H16N2O5/c12-4-5-7(14)8(15)9(16-5)11-2-1-10-6(13)3-11/h5,7-9,12,14-15H,1-4H2,(H,10,13)/t5-,7-,8-,9?/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of human liver


J Med Chem 24: 662-6 (1981)


BindingDB Entry DOI: 10.7270/Q2JM2B6C
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50366987
PNG
(CHEMBL608479)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCC(=O)CNC1=O |r|
Show InChI InChI=1S/C10H16N2O6/c13-4-6-7(15)8(16)9(18-6)12-2-1-5(14)3-11-10(12)17/h6-9,13,15-16H,1-4H2,(H,11,17)/t6-,7-,8-,9?/m1/s1
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9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cytidine Deaminase Inhibition in human liver


J Med Chem 23: 713-5 (1980)

Checked by Author
BindingDB Entry DOI: 10.7270/Q23N23ZN
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50367036
PNG
(CHEMBL609349)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCCCCNC1=O |r|
Show InChI InChI=1S/C11H20N2O5/c14-6-7-8(15)9(16)10(18-7)13-5-3-1-2-4-12-11(13)17/h7-10,14-16H,1-6H2,(H,12,17)/t7-,8-,9-,10?/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of human liver


J Med Chem 24: 662-6 (1981)


BindingDB Entry DOI: 10.7270/Q2JM2B6C
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50065260
PNG
(1-((3R,4S)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydr...)
Show SMILES OCC1OC([C@H](O)[C@@H]1O)n1cccnc1=O
Show InChI InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5?,6-,7-,8?/m1/s1
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3.80E+4n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against cytidine deaminase.


J Med Chem 41: 2572-8 (1998)


Article DOI: 10.1021/jm980111x
BindingDB Entry DOI: 10.7270/Q2KW5F6T
More data for this
Ligand-Target Pair
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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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))
BDBM50065261
PNG
(1-((4R,5S)-4,5-Dihydroxy-3-hydroxymethyl-cyclopent...)
Show SMILES OCC1=CC([C@H](O)[C@@H]1O)n1cccnc1=O |t:2|
Show InChI InChI=1S/C10H12N2O4/c13-5-6-4-7(9(15)8(6)14)12-3-1-2-11-10(12)16/h1-4,7-9,13-15H,5H2/t7?,8-,9+/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against cytidine deaminase.


J Med Chem 41: 2572-8 (1998)


Article DOI: 10.1021/jm980111x
BindingDB Entry DOI: 10.7270/Q2KW5F6T
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50087289
PNG
(1-beta-D-Arabinofuranosylcytosine | 4-Amino-1-beta...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1
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1.90E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory constant was measured on cytidine/deoxycytidine deaminase


J Med Chem 34: 2607-15 (1991)


BindingDB Entry DOI: 10.7270/Q23F4Q8T
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50367035
PNG
(CHEMBL608655)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)N1CCNC1=O |r|
Show InChI InChI=1S/C8H14N2O5/c11-3-4-5(12)6(13)7(15-4)10-2-1-9-8(10)14/h4-7,11-13H,1-3H2,(H,9,14)/t4-,5-,6-,7?/m1/s1
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3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of human liver


J Med Chem 24: 662-6 (1981)


BindingDB Entry DOI: 10.7270/Q2JM2B6C
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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Article
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))
BDBM50007155
PNG
(4-Amino-1-(3-hydroxy-5-hydroxymethyl-4-methylene-t...)
Show SMILES Nc1ccn(C2OC(CO)C(=C)C2O)c(=O)n1
Show InChI InChI=1S/C10H13N3O4/c1-5-6(4-14)17-9(8(5)15)13-3-2-7(11)12-10(13)16/h2-3,6,8-9,14-15H,1,4H2,(H2,11,12,16)
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1.60E+6n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory constant was measured on cytidine/deoxycytidine deaminase


J Med Chem 34: 2607-15 (1991)


BindingDB Entry DOI: 10.7270/Q23F4Q8T
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50421893
PNG
(CHEMBL10128)
Show SMILES Nc1ccn(C2O[C@H](CO)[C@H](O)C2=C)c(=O)n1
Show InChI InChI=1S/C10H13N3O4/c1-5-8(15)6(4-14)17-9(5)13-3-2-7(11)12-10(13)16/h2-3,6,8-9,14-15H,1,4H2,(H2,11,12,16)/t6-,8-,9?/m1/s1
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7.69E+6n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory constant was measured on cytidine/deoxycytidine deaminase


J Med Chem 34: 2607-15 (1991)


BindingDB Entry DOI: 10.7270/Q23F4Q8T
More data for this
Ligand-Target Pair
Cytidine deaminase


(Homo sapiens (Human))
BDBM50007156
PNG
(4-Amino-5-fluoro-1-(4-hydroxy-5-hydroxymethyl-3-me...)
Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)C1=C |r|
Show InChI InChI=1S/C10H12FN3O4/c1-4-7(16)6(3-15)18-9(4)14-2-5(11)8(12)13-10(14)17/h2,6-7,9,15-16H,1,3H2,(H2,12,13,17)
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2.51E+7n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibitory constant was measured on cytidine/deoxycytidine deaminase


J Med Chem 34: 2607-15 (1991)


BindingDB Entry DOI: 10.7270/Q23F4Q8T
More data for this
Ligand-Target Pair