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BDBM50349507 CHEMBL1808651::CHEMBL1808652

SMILES: CCOC(=O)C(C=Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=WTWCDVFRXXIPKX-WGOQTCKBNA-N

Data: 2 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 2 hits for monomerid = 50349507   
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
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349507
PNG
(CHEMBL1808651 | CHEMBL1808652)
Show SMILES CCOC(=O)C(C=Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C24H22BrNO3/c1-2-28-24(27)23(16-26-21-12-10-20(25)11-13-21)19-8-14-22(15-9-19)29-17-18-6-4-3-5-7-18/h3-16,23H,2,17H2,1H3/b26-16+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3[H] after 25 mins by liquid scintillation


Bioorg Med Chem 19: 4454-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.048
BindingDB Entry DOI: 10.7270/Q21C1X7D
More data for this
Ligand-Target Pair
Beta-ketoacyl-ACP synthase III (FabH)


(Escherichia coli)
BDBM50349507
PNG
(CHEMBL1808651 | CHEMBL1808652)
Show SMILES CCOC(=O)C(C=Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1/C24H22BrNO3/c1-2-28-24(27)23(16-26-21-12-10-20(25)11-13-21)19-8-14-22(15-9-19)29-17-18-6-4-3-5-7-18/h3-16,23H,2,17H2,1H3/b26-16+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Soochow University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3[H] after 25 mins by liquid scintillation


Bioorg Med Chem 19: 4454-9 (2011)


Article DOI: 10.1016/j.bmc.2011.06.048
BindingDB Entry DOI: 10.7270/Q21C1X7D
More data for this
Ligand-Target Pair