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BDBM50029130 Adenosine dialdehyde::CHEMBL165876

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

InChI Key: InChIKey=ILMNSCQOSGKTNZ-NKWVEPMBSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50029130   
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
Adenosylhomocysteinase


(Homo sapiens)
BDBM50029130
PNG
(Adenosine dialdehyde | CHEMBL165876)
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
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Article
3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of S-adenosyl homocysteine (SAH) hydrolase .


Bioorg Med Chem Lett 6: 1381-1386 (1996)

More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50029130
PNG
(Adenosine dialdehyde | CHEMBL165876)
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
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PubMed
5.00E+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))
BDBM50029130
PNG
(Adenosine dialdehyde | CHEMBL165876)
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
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CHEMBL
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PubMed
5.20E+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
Adenosylhomocysteinase


(Homo sapiens)
BDBM50029130
PNG
(Adenosine dialdehyde | CHEMBL165876)
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
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PC cid
PC sid
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PubMed
n/an/a 40n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-homocysteine (AdoHcy)hydrolase from rabbit erythrocytes


Citation and Details
More data for this
Ligand-Target Pair