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Compile Data Set for Download or QSAR

Found 13 hits of ph data with Target = 'Chorismate mutase (MTB CM)'   
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
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50240433
PNG
(5-Isopropyl-2-methyl-phenol | CARVACROL | CHEMBL28...)
Show SMILES CC(C)c1ccc(C)c(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.06E+3n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50240432
PNG
(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Show SMILES CC(C)c1ccc(C)cc1O
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.84E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248162
PNG
(Menthol)
Show SMILES CC(C)C1CCC(C)CC1O
Show InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.64E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248163
PNG
((±)Neo isopulegol)
Show SMILES CC1CCC(C(O)C1)C(C)=C
Show InChI InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.36E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50164168
PNG
(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Show SMILES COc1cc(CC=C)ccc1O
Show InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.86E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM50177405
PNG
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)
Show SMILES COc1cc(C=O)ccc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.48E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248170
PNG
(Thymol derivative, 21)
Show SMILES COc1cc(C)ccc1C(C)C
Show InChI InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.16E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248165
PNG
(Carvacrol derivative, 8)
Show SMILES CC(C)c1ccc(C)cc1
Show InChI InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.16E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248166
PNG
(Carvacrol derivative, 9)
Show SMILES Cc1ccccc1O
Show InChI InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.31E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248167
PNG
(Carvacrol derivative, 10)
Show SMILES CC(C)c1cccc(O)c1
Show InChI InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h3-7,10H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.14E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248168
PNG
(Carvacrol derivative, 15)
Show SMILES CC(C)c1cc(O)c(C)cc1Cl
Show InChI InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.37E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248169
PNG
(Thymol derivative, 17)
Show SMILES CC(C)c1ccc(C)cc1OC(C)=O
Show InChI InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.08E+3n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair
Chorismate mutase (MTB CM)


(Mycobacterium tuberculosis H37Rv)
BDBM248164
PNG
(Carvacrol derivative, 7)
Show SMILES CC(C)c1cc(C)cc(O)c1
Show InChI InChI=1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.68E+4n/an/an/an/a7.537



Birla Institute of Technology & Science-Pilani



Assay Description
Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...


J Enzyme Inhib Med Chem 29: 547-54 (2014)


Article DOI: 10.3109/14756366.2013.823958
BindingDB Entry DOI: 10.7270/Q2MW2G15
More data for this
Ligand-Target Pair