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BDBM93089 Analogue of 1a, 12b

SMILES: CCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

InChI Key: InChIKey=DHIDSSFRXLUFLN-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 = 93089   
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
Glucose-1-phosphate thymidylyltransferase (RmlA)


(Pseudomonas aeruginosa)
BDBM93089
PNG
(Analogue of 1a, 12b)
Show SMILES CCNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H16N4O2/c1-2-15-10-11(14)17(13(19)16-12(10)18)8-9-6-4-3-5-7-9/h3-7,15H,2,8,14H2,1H3,(H,16,18,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of St. Andrews



Assay Description
Inhibition assay using glucose-1-phosphate thymidylyltransferase (RmlA).


ACS Chem Biol 8: 387-96 (2013)

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