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BDBM50421085 CHEMBL2088120

SMILES: CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3cncn3C)c2c(=O)n(C)c1=O

InChI Key: InChIKey=QJBUEINIMXZUED-UHFFFAOYSA-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 = 50421085   
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
Glutamate racemase


(Helicobacter pylori J99)
BDBM50421085
PNG
(CHEMBL2088120)
Show SMILES CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3cncn3C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H26N6O2/c1-16(2)13-30-23-21(24(32)29(4)25(30)33)22(20-12-26-15-28(20)3)31(27-23)14-18-10-7-9-17-8-5-6-11-19(17)18/h5-12,15-16H,13-14H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Helicobacter pylori J99 glutamate racemase


Bioorg Med Chem Lett 22: 5600-7 (2012)

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