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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50035471   
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))
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
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


(Mus musculus)
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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70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of mouse kidney


J Med Chem 24: 662-6 (1981)


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


(Mus musculus)
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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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of mouse kidney


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))
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))
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


(Mus musculus)
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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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of mouse kidney


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))
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


(Mus musculus)
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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3.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of mouse kidney


J Med Chem 24: 662-6 (1981)


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


(Mus musculus)
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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2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against cytidine deaminase of mouse kidney


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))
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