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BDBM50130829 CHEMBL1164::Dimocillin sodium::METHICILLIN SODIUM::Meticillin sodium::Meticillin sodium salt::methicillin sodium::sodium (2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate::sodium 6beta-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3alpha-carboxylate::sodium 6beta-(2,6-dimethoxybenzamido)penicillanate

SMILES: COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O

InChI Key: InChIKey=RJQXTJLFIWVMTO-TYNCELHUSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50130829   
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)
BDBM50130829
PNG
(CHEMBL1164 | Dimocillin sodium | METHICILLIN SODIU...)
Show SMILES COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
Show InChI InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/p-1/t11-,12+,15-/m1/s1
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KEGG
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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)

More data for this
Ligand-Target Pair