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BDBM50367034 CHEMBL610997

SMILES: OC[C@H]1OC([C@H](O)[C@@H]1O)N1CC=CCNC1=O

InChI Key: InChIKey=HBBIVXDEBCKFIZ-BYBOBHAWSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50367034   
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))
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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PubMed
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 (CDA)


(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
PDB
MMDB

Reactome pathway
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antibodypedia
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PC sid
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Article
PubMed
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


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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