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BDBM50256537 1-(5-phenyl-3-(thiophen-2-yl)-3H-benzo[e][1,4]diazepin-2-yl)azetidin-3-ol::CHEMBL519285

SMILES: OC1CN(C1)C1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1

InChI Key: InChIKey=BKSGACYTXOQQNI-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 = 50256537   
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)
BDBM50256537
PNG
(1-(5-phenyl-3-(thiophen-2-yl)-3H-benzo[e][1,4]diaz...)
Show SMILES OC1CN(C1)C1=Nc2ccccc2C(=NC1c1cccs1)c1ccccc1
Show InChI InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of MurI in wild type Helicobacter pylori J99


Bioorg Med Chem Lett 19: 930-6 (2009)

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