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PubMed code 22905906

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486243
PNG
(MONOSULFURON ESTER)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nccc(C)n1
Show InChI InChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)
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PDB
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PDB
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PubMed
 260n/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, chloroplastic


(Arabidopsis thaliana)		BDBM50486242
PNG
(CHEMBL2230130)
Show SMILES S(Sc1ccccc1)c1nc[nH]n1
Show InChI InChI=1S/C8H7N3S2/c1-2-4-7(5-3-1)12-13-8-9-6-10-11-8/h1-6H,(H,9,10,11)
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UniProtKB/SwissProt

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DrugBank
GoogleScholar
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KEGG
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PC sid
UniChem
Article
PubMed
 1.70E+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
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486241
PNG
(CHEBI:5869 | IMAZAQUIN)
Show SMILES CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O |c:5|
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)
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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, chloroplastic


(Arabidopsis thaliana)		BDBM50486245
PNG
(CHEMBL2230131)
Show SMILES Cc1ccc(SSc2nc[nH]n2)cc1
Show InChI InChI=1S/C9H9N3S2/c1-7-2-4-8(5-3-7)13-14-9-10-6-11-12-9/h2-6H,1H3,(H,10,11,12)
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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PC sid
UniChem
Article
PubMed
 4.69E+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
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486244
PNG
(CHEMBL2229985)
Show SMILES Cc1nc(SSc2ccccc2[N+]([O-])=O)n[nH]1
Show InChI InChI=1S/C9H8N4O2S2/c1-6-10-9(12-11-6)17-16-8-5-3-2-4-7(8)13(14)15/h2-5H,1H3,(H,10,11,12)
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UniChem
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PubMed
 5.57E+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
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486243
PNG
(MONOSULFURON ESTER)
Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nccc(C)n1
Show InChI InChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)
PDB
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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PDB
UniChem
PDB
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PubMed
 8.53E+3n/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)
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486242
PNG
(CHEMBL2230130)
Show SMILES S(Sc1ccccc1)c1nc[nH]n1
Show InChI InChI=1S/C8H7N3S2/c1-2-4-7(5-3-1)12-13-8-9-6-10-11-8/h1-6H,(H,9,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 2.45E+4n/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
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486245
PNG
(CHEMBL2230131)
Show SMILES Cc1ccc(SSc2nc[nH]n2)cc1
Show InChI InChI=1S/C9H9N3S2/c1-7-2-4-8(5-3-7)13-14-9-10-6-11-12-9/h2-6H,1H3,(H,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 2.57E+4n/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
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486244
PNG
(CHEMBL2229985)
Show SMILES Cc1nc(SSc2ccccc2[N+]([O-])=O)n[nH]1
Show InChI InChI=1S/C9H8N4O2S2/c1-6-10-9(12-11-6)17-16-8-5-3-2-4-7(8)13(14)15/h2-5H,1H3,(H,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
 2.71E+4n/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
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)		BDBM50486241
PNG
(CHEBI:5869 | IMAZAQUIN)
Show SMILES CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O |c:5|
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

B.MOAD
DrugBank
GoogleScholar
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MCE
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)
* indicates data uncertainty>20%