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BDBM50029133 (2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal::CHEMBL349866

SMILES: Nc1ncnc2n(cnc12)[C@@H](O[C@H](CO)C=O)C=O

InChI Key: InChIKey=ILMNSCQOSGKTNZ-BQBZGAKWSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50029133   
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
Adenosine deaminase


(Bos taurus (bovine))
BDBM50029133
PNG
((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H](O[C@H](CO)C=O)C=O
Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitor constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0 was determined after heating to 100 degrees celsius


Citation and Details
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50029133
PNG
((2R)-2-[(1S)-1-(6-amino-9H-purin-9-yl)-2-oxoethoxy...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H](O[C@H](CO)C=O)C=O
Show InChI InChI=1S/C10H11N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h1,3-7,17H,2H2,(H2,11,12,13)/t6-,7-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.10E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant against adenosine deaminase in 0.05 M sodium phosphate buffer at pH 7.0, was determined before heating


Citation and Details
More data for this
Ligand-Target Pair