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Compile Data Set for Download or QSAR

Found 2191 hits with Last Name = 'niu' and Initial = 'c'   
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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544441
PNG
(CHEMBL4637373 | US11192850, Entry 4u)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Br)C(F)(F)F
Show InChI InChI=1S/C17H9BrF3NO3/c18-14-9-12(17(19,20)21)6-5-11(14)4-1-10-2-7-13(8-3-10)22-15(23)16(24)25/h2-3,5-9H,(H,22,23)(H,24,25)
PDB
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UniProtKB/TrEMBL

B.MOAD
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PubMed
1.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as...


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544440
PNG
(CHEMBL4647367 | US11192850, Entry 4t)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H9ClF3NO3/c18-14-9-12(17(19,20)21)6-5-11(14)4-1-10-2-7-13(8-3-10)22-15(23)16(24)25/h2-3,5-9H,(H,22,23)(H,24,25)
PDB
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2.70n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as...


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544442
PNG
(CHEMBL4638011 | US11192850, Entry 4v)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C17H9F4NO3/c18-14-9-12(17(19,20)21)6-5-11(14)4-1-10-2-7-13(8-3-10)22-15(23)16(24)25/h2-3,5-9H,(H,22,23)(H,24,25)
PDB
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KEGG

UniProtKB/TrEMBL

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UniChem
Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as...


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
PDB

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PDB
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PDB
Article
PubMed
6.20n/an/an/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of recombinant ALK (unknown origin)


J Med Chem 59: 3392-408 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00064
BindingDB Entry DOI: 10.7270/Q27M09TG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50480722
PNG
(CHEMBL373691)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C10H17FN3O13P3/c1-10(11)7(15)5(25-8(10)14-3-2-6(12)13-9(14)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
310n/an/an/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase S282T mutant assessed as incorporation of [alpha32P]UTP into newly synthesized RNA by liquid scintillation counting


Antimicrob Agents Chemother 52: 458-64 (2008)


Article DOI: 10.1128/aac.01184-07
BindingDB Entry DOI: 10.7270/Q21N83Z9
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50004708
PNG
(FLUMETSULAM)
Show SMILES Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
PDB
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UniProtKB/SwissProt

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UniChem
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360n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487171
PNG
(CHEMBL2251948)
Show SMILES COC(=O)c1cccc(Cl)c1NS(=O)(=O)c1nc2c(Cl)c(C)nc(C)n2n1
Show InChI InChI=1S/C15H13Cl2N5O4S/c1-7-11(17)13-19-15(20-22(13)8(2)18-7)27(24,25)21-12-9(14(23)26-3)5-4-6-10(12)16/h4-6,21H,1-3H3
PDB
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KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
1.29E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487177
PNG
(CHEMBL2251959)
Show SMILES COC(=O)c1cccc(Cl)c1NS(=O)(=O)c1nc2nc(OC)ccn2n1
Show InChI InChI=1S/C14H12ClN5O5S/c1-24-10-6-7-20-13(16-10)17-14(18-20)26(22,23)19-11-8(12(21)25-2)4-3-5-9(11)15/h3-7,19H,1-2H3
PDB
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UniChem
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1.61E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487169
PNG
(CHEMBL2251950)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1c(Cl)cccc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H8Cl2F3N5O2S/c1-6-19-9(13(16,17)18)5-10-20-12(21-23(6)10)26(24,25)22-11-7(14)3-2-4-8(11)15/h2-5,22H,1H3
PDB
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5.02E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487162
PNG
(CHEMBL2251953)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C14H14ClN5O2S/c1-8-4-5-11(15)7-12(8)19-23(21,22)14-17-13-6-9(2)16-10(3)20(13)18-14/h4-7,19H,1-3H3
PDB
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UniChem
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PubMed
7.75E+3n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487176
PNG
(CHEMBL2251938)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H9Cl2N5O3S/c1-22-9-5-6-19-11(15-9)16-12(17-19)23(20,21)18-8-4-2-3-7(13)10(8)14/h2-6,18H,1H3
PDB
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KEGG

UniProtKB/SwissProt

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UniChem
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1.48E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487168
PNG
(CHEMBL2251955)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C12H9F2N5O3S/c1-22-9-5-6-19-11(15-9)16-12(17-19)23(20,21)18-10-7(13)3-2-4-8(10)14/h2-6,18H,1H3
PDB
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UniChem
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1.85E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepacivirus C)
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



Pharmasset, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B polymerase S282T mutant assessed as incorporation of [alpha32P]UTP into newly synthesized RNA by liquid scintillation counting


Antimicrob Agents Chemother 52: 458-64 (2008)


Article DOI: 10.1128/aac.01184-07
BindingDB Entry DOI: 10.7270/Q21N83Z9
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487175
PNG
(CHEMBL2251939)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccccc1Br
Show InChI InChI=1S/C12H10BrN5O3S/c1-21-10-6-7-18-11(14-10)15-12(16-18)22(19,20)17-9-5-3-2-4-8(9)13/h2-7,17H,1H3
PDB
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UniChem
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2.26E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487165
PNG
(CHEMBL2251943)
Show SMILES Cc1nc(C)n2nc(nc2c1Cl)S(=O)(=O)Nc1ccccc1F
Show InChI InChI=1S/C13H11ClFN5O2S/c1-7-11(14)12-17-13(18-20(12)8(2)16-7)23(21,22)19-10-6-4-3-5-9(10)15/h3-6,19H,1-2H3
PDB
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UniChem
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2.58E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487181
PNG
(CHEMBL2251958)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccccc1F
Show InChI InChI=1S/C12H10FN5O3S/c1-21-10-6-7-18-11(14-10)15-12(16-18)22(19,20)17-9-5-3-2-4-8(9)13/h2-7,17H,1H3
PDB
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2.59E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487166
PNG
(CHEMBL2251947)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1ccccc1F
Show InChI InChI=1S/C13H12FN5O2S/c1-8-7-12-16-13(17-19(12)9(2)15-8)22(20,21)18-11-6-4-3-5-10(11)14/h3-7,18H,1-2H3
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2.77E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487182
PNG
(CHEMBL2251954)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C13H11F2N5O2S/c1-7-5-12-17-13(18-20(12)8(2)16-7)23(21,22)19-11-6-9(14)3-4-10(11)15/h3-6,19H,1-2H3
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2.81E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487040
PNG
(PYRIMINOBAC-METHYL)
Show SMILES CO\N=C(\C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC
Show InChI InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10-
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4.90E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487167
PNG
(CHEMBL2251957)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C12H9F2N5O3S/c1-22-10-4-5-19-11(15-10)16-12(17-19)23(20,21)18-9-6-7(13)2-3-8(9)14/h2-6,18H,1H3
PDB
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5.33E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487173
PNG
(CHEMBL2251942)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1c(F)cccc1F)C(F)(F)F
Show InChI InChI=1S/C13H8F5N5O2S/c1-6-19-9(13(16,17)18)5-10-20-12(21-23(6)10)26(24,25)22-11-7(14)3-2-4-8(11)15/h2-5,22H,1H3
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7.06E+4n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487179
PNG
(CHEMBL2251952)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H11ClF3N5O2S/c1-7-5-12-20-13(21-23(12)8(2)19-7)26(24,25)22-11-4-3-9(6-10(11)15)14(16,17)18/h3-6,22H,1-2H3
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1.78E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487044
PNG
(CHEMBL2253248)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccc(Cl)cc4)c(=O)c23)n1
Show InChI InChI=1S/C22H19ClN4O4/c1-13-16-5-4-6-17(31-22-24-18(29-2)11-19(25-22)30-3)20(16)21(28)27(26-13)12-14-7-9-15(23)10-8-14/h4-11H,12H2,1-3H3
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2.00E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487043
PNG
(CHEMBL2253250)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccccc4Cl)c(=O)c23)n1
Show InChI InChI=1S/C22H19ClN4O4/c1-13-15-8-6-10-17(31-22-24-18(29-2)11-19(25-22)30-3)20(15)21(28)27(26-13)12-14-7-4-5-9-16(14)23/h4-11H,12H2,1-3H3
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2.10E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487049
PNG
(CHEMBL2253251)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4cccc(Cl)c4)c(=O)c23)n1
Show InChI InChI=1S/C22H19ClN4O4/c1-13-16-8-5-9-17(31-22-24-18(29-2)11-19(25-22)30-3)20(16)21(28)27(26-13)12-14-6-4-7-15(23)10-14/h4-11H,12H2,1-3H3
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2.20E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487035
PNG
(CHEMBL2253252)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccccc4C)c(=O)c23)n1
Show InChI InChI=1S/C23H22N4O4/c1-14-8-5-6-9-16(14)13-27-22(28)21-17(15(2)26-27)10-7-11-18(21)31-23-24-19(29-3)12-20(25-23)30-4/h5-12H,13H2,1-4H3
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2.60E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487050
PNG
(CHEMBL2253246)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccc(Br)cc4)c(=O)c23)n1
Show InChI InChI=1S/C22H19BrN4O4/c1-13-16-5-4-6-17(31-22-24-18(29-2)11-19(25-22)30-3)20(16)21(28)27(26-13)12-14-7-9-15(23)10-8-14/h4-11H,12H2,1-3H3
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3.10E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487038
PNG
(CHEMBL2253249)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4cc(C)ccc4[N+]([O-])=O)c(=O)c23)n1
Show InChI InChI=1S/C23H21N5O6/c1-13-8-9-17(28(30)31)15(10-13)12-27-22(29)21-16(14(2)26-27)6-5-7-18(21)34-23-24-19(32-3)11-20(25-23)33-4/h5-11H,12H2,1-4H3
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3.10E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487047
PNG
(CHEMBL2253244)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccccc4Br)c(=O)c23)n1
Show InChI InChI=1S/C22H19BrN4O4/c1-13-15-8-6-10-17(31-22-24-18(29-2)11-19(25-22)30-3)20(15)21(28)27(26-13)12-14-7-4-5-9-16(14)23/h4-11H,12H2,1-3H3
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3.60E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487053
PNG
(CHEMBL2253240)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccc(Br)cc4F)c(=O)c23)n1
Show InChI InChI=1S/C22H18BrFN4O4/c1-12-15-5-4-6-17(32-22-25-18(30-2)10-19(26-22)31-3)20(15)21(29)28(27-12)11-13-7-8-14(23)9-16(13)24/h4-10H,11H2,1-3H3
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4.20E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487042
PNG
(CHEMBL2253253)
Show SMILES CCCCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O
Show InChI InChI=1S/C19H22N4O4/c1-5-6-10-23-18(24)17-13(12(2)22-23)8-7-9-14(17)27-19-20-15(25-3)11-16(21-19)26-4/h7-9,11H,5-6,10H2,1-4H3
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4.40E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487039
PNG
(CHEMBL2253256)
Show SMILES CCOC(=O)Cn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O
Show InChI InChI=1S/C19H20N4O6/c1-5-28-16(24)10-23-18(25)17-12(11(2)22-23)7-6-8-13(17)29-19-20-14(26-3)9-15(21-19)27-4/h6-9H,5,10H2,1-4H3
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5.60E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487170
PNG
(CHEMBL2251949)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C13H9F4N5O2S/c1-7-18-10(13(15,16)17)6-11-19-12(20-22(7)11)25(23,24)21-9-5-3-2-4-8(9)14/h2-6,21H,1H3
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5.69E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487048
PNG
(CHEMBL2253241)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4c(F)cccc4F)c(=O)c23)n1
Show InChI InChI=1S/C22H18F2N4O4/c1-12-13-6-4-9-17(32-22-25-18(30-2)10-19(26-22)31-3)20(13)21(29)28(27-12)11-14-15(23)7-5-8-16(14)24/h4-10H,11H2,1-3H3
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6.30E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487045
PNG
(CHEMBL2253247)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccc(C)cc4)c(=O)c23)n1
Show InChI InChI=1S/C23H22N4O4/c1-14-8-10-16(11-9-14)13-27-22(28)21-17(15(2)26-27)6-5-7-18(21)31-23-24-19(29-3)12-20(25-23)30-4/h5-12H,13H2,1-4H3
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6.40E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487037
PNG
(CHEMBL2253234)
Show SMILES CCc1ccc(cc1)C(=O)n1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O
Show InChI InChI=1S/C24H22N4O5/c1-5-15-9-11-16(12-10-15)22(29)28-23(30)21-17(14(2)27-28)7-6-8-18(21)33-24-25-19(31-3)13-20(26-24)32-4/h6-13H,5H2,1-4H3
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7.10E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487046
PNG
(CHEMBL2253245)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4cccc(Br)c4)c(=O)c23)n1
Show InChI InChI=1S/C22H19BrN4O4/c1-13-16-8-5-9-17(31-22-24-18(29-2)11-19(25-22)30-3)20(16)21(28)27(26-13)12-14-6-4-7-15(23)10-14/h4-11H,12H2,1-3H3
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7.60E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487052
PNG
(CHEMBL2253236)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(CC4OCCO4)c(=O)c23)n1
Show InChI InChI=1S/C19H20N4O6/c1-11-12-5-4-6-13(29-19-20-14(25-2)9-15(21-19)26-3)17(12)18(24)23(22-11)10-16-27-7-8-28-16/h4-6,9,16H,7-8,10H2,1-3H3
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7.80E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487034
PNG
(CHEMBL2253254)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)n[nH]c(=O)c23)n1
Show InChI InChI=1S/C15H14N4O4/c1-8-9-5-4-6-10(13(9)14(20)19-18-8)23-15-16-11(21-2)7-12(17-15)22-3/h4-7H,1-3H3,(H,19,20)
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7.90E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487054
PNG
(CHEMBL2253239)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccccc4)c(=O)c23)n1
Show InChI InChI=1S/C22H20N4O4/c1-14-16-10-7-11-17(30-22-23-18(28-2)12-19(24-22)29-3)20(16)21(27)26(25-14)13-15-8-5-4-6-9-15/h4-12H,13H2,1-3H3
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8.20E+5n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487178
PNG
(CHEMBL2251956)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C12H8F3N5O3S/c1-23-9-2-3-20-11(16-9)17-12(18-20)24(21,22)19-6-4-7(13)10(15)8(14)5-6/h2-5,19H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487174
PNG
(CHEMBL2251941)
Show SMILES Cc1nc(C)n2nc(nc2c1Cl)S(=O)(=O)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C13H9ClF3N5O2S/c1-5-9(14)12-19-13(20-22(12)6(2)18-5)25(23,24)21-8-4-3-7(15)10(16)11(8)17/h3-4,21H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487057
PNG
(CHEMBL2253242)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4ccc(F)cc4F)c(=O)c23)n1
Show InChI InChI=1S/C22H18F2N4O4/c1-12-15-5-4-6-17(32-22-25-18(30-2)10-19(26-22)31-3)20(15)21(29)28(27-12)11-13-7-8-14(23)9-16(13)24/h4-10H,11H2,1-3H3
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1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487164
PNG
(CHEMBL2251937)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H10BrN5O3S/c1-21-10-6-7-18-11(14-10)15-12(16-18)22(19,20)17-9-4-2-8(13)3-5-9/h2-7,17H,1H3
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UniChem
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487163
PNG
(CHEMBL2251946)
Show SMILES Cc1nc(C)n2nc(nc2c1Cl)S(=O)(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11ClF3N5O2S/c1-7-11(15)12-20-13(21-23(12)8(2)19-7)26(24,25)22-10-5-3-9(4-6-10)14(16,17)18/h3-6,22H,1-2H3
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UniChem
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487172
PNG
(CHEMBL2251944)
Show SMILES Cc1cc2nc(nn2c(C)n1)S(=O)(=O)Nc1ccc(F)c(F)c1F
Show InChI InChI=1S/C13H10F3N5O2S/c1-6-5-10-18-13(19-21(10)7(2)17-6)24(22,23)20-9-4-3-8(14)11(15)12(9)16/h3-5,20H,1-2H3
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PC sid
UniChem
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487183
PNG
(CHEMBL2251945)
Show SMILES Cc1nc(cc2nc(nn12)S(=O)(=O)Nc1ccc(F)c(F)c1F)C(F)(F)F
Show InChI InChI=1S/C13H7F6N5O2S/c1-5-20-8(13(17,18)19)4-9-21-12(22-24(5)9)27(25,26)23-7-3-2-6(14)10(15)11(7)16/h2-4,23H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487180
PNG
(CHEMBL2251940)
Show SMILES COc1ccn2nc(nc2n1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C13H10F3N5O4S/c1-24-10-6-7-21-11(17-10)18-12(19-21)26(22,23)20-8-2-4-9(5-3-8)25-13(14,15)16/h2-7,20H,1H3
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PC sid
UniChem
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PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry


Bioorg Med Chem 18: 4897-904 (2010)


Article DOI: 10.1016/j.bmc.2010.06.015
BindingDB Entry DOI: 10.7270/Q20G3P19
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487036
PNG
(CHEMBL2253243)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(Cc4cccc(F)c4)c(=O)c23)n1
Show InChI InChI=1S/C22H19FN4O4/c1-13-16-8-5-9-17(31-22-24-18(29-2)11-19(25-22)30-3)20(16)21(28)27(26-13)12-14-6-4-7-15(23)10-14/h4-11H,12H2,1-3H3
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1.40E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
Acetolactate synthase, chloroplastic


(Arabidopsis thaliana)
BDBM50487055
PNG
(CHEMBL2253235)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(CC(=O)OC(C)(C)C)c(=O)c23)n1
Show InChI InChI=1S/C21H24N4O6/c1-12-13-8-7-9-14(30-20-22-15(28-5)10-16(23-20)29-6)18(13)19(27)25(24-12)11-17(26)31-21(2,3)4/h7-10H,11H2,1-6H3
PDB
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
1.60E+6n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase


J Agric Food Chem 54: 9135-9 (2006)


Article DOI: 10.1021/jf061976j
BindingDB Entry DOI: 10.7270/Q21G0Q47
More data for this
Ligand-Target Pair
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