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BDBM50216887 1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(5-methoxybenzo[d]thiazol-2-yl)urea::CHEMBL237637

SMILES: COc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1

InChI Key: InChIKey=TYBRGTOCRZCDLR-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50216887   
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
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216887
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(5-methoxyb...)
Show SMILES COc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-24-10-6-7-14-13(8-10)21-17(25-14)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae KU197 FabK


Bioorg Med Chem Lett 17: 4982-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.040
BindingDB Entry DOI: 10.7270/Q2C53MP9
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabK)


(Streptococcus pneumoniae)
BDBM50216887
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(5-methoxyb...)
Show SMILES COc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-24-10-6-7-14-13(8-10)21-17(25-14)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae enoyl-ACP reductase FabK


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair
Enoyl-ACP Reductase (FabI)


(Escherichia coli)
BDBM50216887
PNG
(1-((1H-benzo[d]imidazol-2-yl)methyl)-3-(5-methoxyb...)
Show SMILES COc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C17H15N5O2S/c1-24-10-6-7-14-13(8-10)21-17(25-14)22-16(23)18-9-15-19-11-4-2-3-5-12(11)20-15/h2-8H,9H2,1H3,(H,19,20)(H2,18,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli enoyl-ACP reductase FabI


Bioorg Med Chem 15: 7325-36 (2007)


Article DOI: 10.1016/j.bmc.2007.08.050
BindingDB Entry DOI: 10.7270/Q25T3MBH
More data for this
Ligand-Target Pair