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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D-amino-acid oxidase' and Ligand = 'BDBM50605594'   
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605594
PNG
(CHEMBL5186374)
Show SMILES O=c1[nH]cc([nH]c1=O)[C@@H]1COc2cc(ccc2S1)C#N |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Mus musculus)
BDBM50605594
PNG
(CHEMBL5186374)
Show SMILES O=c1[nH]cc([nH]c1=O)[C@@H]1COc2cc(ccc2S1)C#N |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 780n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50605594
PNG
(CHEMBL5186374)
Show SMILES O=c1[nH]cc([nH]c1=O)[C@@H]1COc2cc(ccc2S1)C#N |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 630n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00118
BindingDB Entry DOI: 10.7270/Q2MG7TK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)