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BDBM50016707 CHEMBL3276846

SMILES: Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1

InChI Key: InChIKey=AJTXUJJPXKYNBN-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50016707   
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
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016707
PNG
(CHEMBL3276846)
Show SMILES Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1
Show InChI InChI=1S/C13H9N3O4/c17-11-4-12(18)16-13(15-11)8(5-14-16)7-1-2-9-10(3-7)20-6-19-9/h1-5,18H,6H2,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016707
PNG
(CHEMBL3276846)
Show SMILES Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1
Show InChI InChI=1S/C13H9N3O4/c17-11-4-12(18)16-13(15-11)8(5-14-16)7-1-2-9-10(3-7)20-6-19-9/h1-5,18H,6H2,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


Article DOI: 10.1021/jm00224a017
BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair