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BDBM50402624 CHEMBL2206164

SMILES: CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=QYPYMNJXDLGLRD-AWQFTUOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50402624   
Target
(Institution)
LigandTarget
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
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50402624
PNG
(CHEMBL2206164)
Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1 |w:2.2|
Show InChI InChI=1S/C16H13BrN4O2/c1-9(15-18-12-4-2-3-5-13(12)19-15)20-21-16(23)11-8-10(17)6-7-14(11)22/h2-8,22H,1H3,(H,18,19)(H,21,23)/b20-9+
PDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay


Bioorg Med Chem 20: 7069-82 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)