Compile Data Set for Download or QSAR

PubMed code 17117801

Found 24 hits of Enzyme Inhibition Constant Data   

TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487040(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-
Affinity DataKi:  0.490nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487044(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
Affinity DataKi:  2nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487043(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
Affinity DataKi:  2.10nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487049(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
Affinity DataKi:  2.20nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487035(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
Affinity DataKi:  2.60nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487050(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
Affinity DataKi:  3.10nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487038(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
Affinity DataKi:  3.10nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487047(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
Affinity DataKi:  3.60nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487053(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
Affinity DataKi:  4.20nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487042(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
Affinity DataKi:  4.40nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487039(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
Affinity DataKi:  5.60nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487048(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
Affinity DataKi:  6.30nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487045(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
Affinity DataKi:  6.40nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487037(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
Affinity DataKi:  7.10nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487046(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
Affinity DataKi:  7.60nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487052(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
Affinity DataKi:  7.80nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487034(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)
Affinity DataKi:  7.90nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487054(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
Affinity DataKi:  8.20nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487057(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
Affinity DataKi:  10nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487036(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
Affinity DataKi:  14nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487055(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
Affinity DataKi:  16nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487041(CHEMBL2253233)
Show SMILES CCCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O
Show InChI InChI=1S/C18H20N4O4/c1-5-9-22-17(23)16-12(11(2)21-22)7-6-8-13(16)26-18-19-14(24-3)10-15(20-18)25-4/h6-8,10H,5,9H2,1-4H3
Affinity DataKi:  17nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487051(CHEMBL2253238)
Show SMILES CCn1nc(C)c2cccc(Oc3nc(OC)cc(OC)n3)c2c1=O
Show InChI InChI=1S/C17H18N4O4/c1-5-21-16(22)15-11(10(2)20-21)7-6-8-12(15)25-17-18-13(23-3)9-14(19-17)24-4/h6-9H,5H2,1-4H3
Affinity DataKi:  17nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetolactate synthase, chloroplastic(Arabidopsis thaliana)
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50487056(CHEMBL2253255)
Show SMILES COc1cc(OC)nc(Oc2cccc3c(C)nn(C4CC4)c(=O)c23)n1
Show InChI InChI=1S/C18H18N4O4/c1-10-12-5-4-6-13(16(12)17(23)22(21-10)11-7-8-11)26-18-19-14(24-2)9-15(20-18)25-3/h4-6,9,11H,7-8H2,1-3H3
Affinity DataKi:  53nMAssay Description:Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthaseMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
* indicates data uncertainty>20%