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BDBM50130823 3-[6-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-hexyloxycarbonyl]-1-methyl-pyridinium; iodide::CHEMBL334273

SMILES: COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCOC(=O)c1ccc[n+](C)c1

InChI Key: InChIKey=APBMYRYVHMGUGP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130823   
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
NH(3)-dependent NAD(+) synthetase


(Bacillus subtilis)
BDBM50130823
PNG
(3-[6-(5-Benzyloxy-2-methoxycarbonyl-indol-1-yl)-he...)
Show SMILES COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1CCCCCCOC(=O)c1ccc[n+](C)c1
Show InChI InChI=1S/C30H33N2O5/c1-31-16-10-13-24(21-31)29(33)36-18-9-4-3-8-17-32-27-15-14-26(37-22-23-11-6-5-7-12-23)19-25(27)20-28(32)30(34)35-2/h5-7,10-16,19-21H,3-4,8-9,17-18,22H2,1-2H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibitory activity against Bacillus subtilis NAD synthetase


J Med Chem 46: 3371-81 (2003)


Article DOI: 10.1021/jm030003x
BindingDB Entry DOI: 10.7270/Q25T3M6Q
More data for this
Ligand-Target Pair