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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 294.2
BDBM50079601
Wt: 323.2
BDBM50079604
Purchase
Wt: 266.2
BDBM50079605
Purchase
Wt: 318.1
BDBM50079606
Purchase
Wt: 309.1
BDBM50079607
Purchase
Wt: 317.7
BDBM50079608
Wt: 267.2
BDBM50079609
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Wt: 264.2
BDBM50216774
Wt: 276.2
BDBM50216776
Wt: 280.6
BDBM50216778
Wt: 246.2
BDBM50216780
Wt: 291.2
BDBM50216781
Wt: 260.2
BDBM50216782
Wt: 325.1
BDBM50216775
Wt: 276.2
BDBM50216783
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 18 hits in this display   
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


(Arabidopsis thaliana)
BDBM50079609
PNG
(4-Fluoro-N-(4-methyl-pyrimidin-2-yl)-benzenesulfon...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C11H10FN3O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0000390n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50079607
PNG
(2,5-Dichloro-N-thiazol-2-yl-benzenesulfonamide | C...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H6Cl2N2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0000850n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50079606
PNG
(2,5-Dichloro-N-(4-methyl-pyrimidin-2-yl)-benzenesu...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
Show InChI InChI=1S/C11H9Cl2N3O2S/c1-7-4-5-14-11(15-7)16-19(17,18)10-6-8(12)2-3-9(10)13/h2-6H,1H3,(H,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0000970n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50079608
PNG
(CHEMBL293152 | N-(4-Chloro-6-methoxy-pyrimidin-2-y...)
Show SMILES COc1cc(Cl)nc(NS(=O)(=O)c2ccc(F)cc2)n1
Show InChI InChI=1S/C11H9ClFN3O3S/c1-19-10-6-9(12)14-11(15-10)16-20(17,18)8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.000111n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50079605
PNG
(4-Fluoro-N-(5-methyl-pyridin-2-yl)-benzenesulfonam...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1
Show InChI InChI=1S/C12H11FN2O2S/c1-9-2-7-12(14-8-9)15-18(16,17)11-5-3-10(13)4-6-11/h2-8H,1H3,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.000152n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50079601
PNG
(CHEMBL293269 | N-(4-Methyl-pyrimidin-2-yl)-2-nitro...)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)n1
Show InChI InChI=1S/C11H10N4O4S/c1-8-6-7-12-11(13-8)14-20(18,19)10-5-3-2-4-9(10)15(16)17/h2-7H,1H3,(H,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.000287n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50079604
PNG
(2,5-Dichloro-N-(5-methyl-thiazol-2-yl)-benzenesulf...)
Show SMILES Cc1cnc(NS(=O)(=O)c2cc(Cl)ccc2Cl)s1
Show InChI InChI=1S/C10H8Cl2N2O2S2/c1-6-5-13-10(17-6)14-18(15,16)9-4-7(11)2-3-8(9)12/h2-5H,1H3,(H,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>0.000309n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216782
PNG
(CHEMBL291948)
Show SMILES Cc1cccc(c1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H12N2O4/c1-9-3-2-4-10(7-9)12(17)19-8-15-6-5-11(16)14-13(15)18/h2-7H,8H2,1H3,(H,14,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216778
PNG
(CHEMBL57215)
Show SMILES Clc1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H9ClN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-15-6-5-10(16)14-12(15)18/h1-6H,7H2,(H,14,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216780
PNG
(CHEMBL58352)
Show SMILES O=C(OCn1ccc(=O)[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C12H10N2O4/c15-10-6-7-14(12(17)13-10)8-18-11(16)9-4-2-1-3-5-9/h1-7H,8H2,(H,13,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216775
PNG
(CHEMBL57654)
Show SMILES Brc1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H9BrN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-15-6-5-10(16)14-12(15)18/h1-6H,7H2,(H,14,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216774
PNG
(CHEMBL58964)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H9FN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-15-6-5-10(16)14-12(15)18/h1-6H,7H2,(H,14,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216776
PNG
(CHEMBL58689)
Show SMILES COc1ccccc1C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H12N2O5/c1-19-10-5-3-2-4-9(10)12(17)20-8-15-7-6-11(16)14-13(15)18/h2-7H,8H2,1H3,(H,14,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216783
PNG
(CHEMBL293995)
Show SMILES COc1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H12N2O5/c1-19-10-4-2-9(3-5-10)12(17)20-8-15-7-6-11(16)14-13(15)18/h2-7H,8H2,1H3,(H,14,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Acetolactate synthase


(Arabidopsis thaliana)
BDBM50216781
PNG
(CHEMBL58918)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OCn1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H9N3O6/c16-10-5-6-14(12(18)13-10)7-21-11(17)8-1-3-9(4-2-8)15(19)20/h1-6H,7H2,(H,13,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibitory activity against Acetolactate synthase (ALS) enzyme by using the rape-root growth method


Bioorg Med Chem Lett 9: 1927-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00301-7
BindingDB Entry DOI: 10.7270/Q2GF0SQC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50079607
PNG
(2,5-Dichloro-N-thiazol-2-yl-benzenesulfonamide | C...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H6Cl2N2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50079607
PNG
(2,5-Dichloro-N-thiazol-2-yl-benzenesulfonamide | C...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H6Cl2N2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WD3Z0J
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50079607
PNG
(2,5-Dichloro-N-thiazol-2-yl-benzenesulfonamide | C...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C9H6Cl2N2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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n/an/a 7.86E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair