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BDBM50486241 CHEBI:5869::IMAZAQUIN

SMILES: CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O

InChI Key: InChIKey=CABMTIJINOIHOD-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50486241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50486241
PNG
(CHEBI:5869 | IMAZAQUIN)
Show SMILES CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase colorimetric assay


J Agric Food Chem 60: 8286-93 (2012)


Article DOI: 10.1021/jf302206x
BindingDB Entry DOI: 10.7270/Q2FX7DB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50486241
PNG
(CHEBI:5869 | IMAZAQUIN)
Show SMILES CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
4.70E+5n/an/an/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana acetohydroxyacid synthase W574L mutant colorimetric assay


J Agric Food Chem 60: 8286-93 (2012)


Article DOI: 10.1021/jf302206x
BindingDB Entry DOI: 10.7270/Q2FX7DB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)