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3 similar compounds to monomer 50148588

Compile data set for download or QSAR
Wt: 166.1
BDBM50148589
Wt: 194.2
BDBM50148593
Wt: 236.2
BDBM50148595

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50148589,50148593,50148595   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148589
PNG
(Butyl-phosphonic acid monoethyl ester | CHEMBL1182...)
Show SMILES CCCCP(O)(=O)OCC
Show InChI InChI=1S/C6H15O3P/c1-3-5-6-10(7,8)9-4-2/h3-6H2,1-2H3,(H,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.31E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148593
PNG
(CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.56E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148593
PNG
(CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.56E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148589
PNG
(Butyl-phosphonic acid monoethyl ester | CHEMBL1182...)
Show SMILES CCCCP(O)(=O)OCC
Show InChI InChI=1S/C6H15O3P/c1-3-5-6-10(7,8)9-4-2/h3-6H2,1-2H3,(H,7,8)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.31E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148595
PNG
(CHEMBL119480 | Nonyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C11H25O3P/c1-3-5-6-7-8-9-10-11-15(12,13)14-4-2/h3-11H2,1-2H3,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.71E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase


Eur J Med Chem 42: 54-63 (2007)


Article DOI: 10.1016/j.ejmech.2006.08.007
BindingDB Entry DOI: 10.7270/Q2F18ZB3
More data for this
Ligand-Target Pair
Fibonectin-binding protein C


(Mycobacterium tuberculosis)
BDBM50148595
PNG
(CHEMBL119480 | Nonyl-phosphonic acid monoethyl est...)
Show SMILES CCCCCCCCCP(O)(=O)OCC
Show InChI InChI=1S/C11H25O3P/c1-3-5-6-7-8-9-10-11-15(12,13)14-4-2/h3-11H2,1-2H3,(H,12,13)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.71E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis


Bioorg Med Chem Lett 14: 3559-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.052
BindingDB Entry DOI: 10.7270/Q2C828RQ
More data for this
Ligand-Target Pair