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2 similar compounds to monomer 50329089

Compile data set for download or QSAR
Wt: 237.1
BDBM50329084
Wt: 219.1
BDBM50329094
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50329084,50329094   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1,4-Dihydroxy-2-naphthoyl-CoA synthase


(Mycobacterium tuberculosis)
BDBM50329094
PNG
((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...)
Show SMILES COC(=O)Cc1nc2ccccc2oc1=O
Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.10E+3n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem Lett 20: 6306-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR
More data for this
Ligand-Target Pair
1,4-Dihydroxy-2-naphthoyl-CoA synthase


(Mycobacterium tuberculosis)
BDBM50329084
PNG
((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...)
Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O
Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.01E+4n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...


Bioorg Med Chem Lett 20: 6306-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR
More data for this
Ligand-Target Pair
1,4-Dihydroxy-2-naphthoyl-CoA synthase


(Mycobacterium tuberculosis)
BDBM50329084
PNG
((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...)
Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O
Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.15E+4n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem Lett 20: 6306-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR
More data for this
Ligand-Target Pair
1,4-Dihydroxy-2-naphthoyl-CoA synthase


(Mycobacterium tuberculosis)
BDBM50329094
PNG
((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...)
Show SMILES COC(=O)Cc1nc2ccccc2oc1=O
Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.70E+4n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as inhibition of enzyme-substrate com...


Bioorg Med Chem Lett 20: 6306-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR
More data for this
Ligand-Target Pair
1,4-Dihydroxy-2-naphthoyl-CoA synthase


(Mycobacterium tuberculosis)
BDBM50329084
PNG
((Z)-methyl 2-(6-fluoro-2-oxo-2H-benzo[b][1,4]oxazi...)
Show SMILES COC(=O)Cc1nc2cc(F)ccc2oc1=O
Show InChI InChI=1S/C11H8FNO4/c1-16-10(14)5-8-11(15)17-9-3-2-6(12)4-7(9)13-8/h2-4H,5H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis


Bioorg Med Chem Lett 20: 6306-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR
More data for this
Ligand-Target Pair
1,4-Dihydroxy-2-naphthoyl-CoA synthase


(Mycobacterium tuberculosis)
BDBM50329094
PNG
((Z)-methyl 2-(2-oxo-2H-benzo[b][1,4]oxazin-3(4H)-y...)
Show SMILES COC(=O)Cc1nc2ccccc2oc1=O
Show InChI InChI=1S/C11H9NO4/c1-15-10(13)6-8-11(14)16-9-5-3-2-4-7(9)12-8/h2-5H,6H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) by double-reciprocal plot analysis


Bioorg Med Chem Lett 20: 6306-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.076
BindingDB Entry DOI: 10.7270/Q2M045PR
More data for this
Ligand-Target Pair