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BDBM50421666 CHEMBL2311128::US9040501, 876404

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O

InChI Key: InChIKey=UCKYOOZPSJFJIZ-XVKVHKPRSA-N

Data: 5 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50421666   
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 (CDA)


(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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Article
PubMed
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
Article DOI: 10.1021/jm00181a001
BindingDB Entry DOI: 10.7270/Q23N23ZN
More data for this
Ligand-Target Pair
Cytidine deaminase


(Mus musculus)
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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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vivo for its ability to inhibit mouse kidney cytidine deaminase (CDA)


J Med Chem 29: 2351-8 (1986)


Article DOI: 10.1021/jm00161a034
BindingDB Entry DOI: 10.7270/Q2GH9GZW
More data for this
Ligand-Target Pair
Cytidine deaminase


(Mus musculus)
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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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cytidine Deaminase Inhibition in mouse Kidney


J Med Chem 23: 713-5 (1980)

Checked by Author
Article DOI: 10.1021/jm00181a001
BindingDB Entry DOI: 10.7270/Q23N23ZN
More data for this
Ligand-Target Pair
Cytidine deaminase (CDA)


(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


(Mus musculus)
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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Article
PubMed
400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase


J Med Chem 29: 1374-80 (1986)


Article DOI: 10.1021/jm00158a009
BindingDB Entry DOI: 10.7270/Q26T0N69
More data for this
Ligand-Target Pair
Cytidine deaminase (CDA)


(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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US Patent
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