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BDBM50488598 CHEMBL2289489

SMILES: Oc1c(Cc2ccccc2)c(Cl)nc2c(cnn12)C#N

InChI Key: InChIKey=HOHNWEMSRSQMGQ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match 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 = 50488598   
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
2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic


(Arabidopsis thaliana)
BDBM50488598
PNG
(CHEMBL2289489)
Show SMILES Oc1c(Cc2ccccc2)c(Cl)nc2c(cnn12)C#N
Show InChI InChI=1S/C14H9ClN4O/c15-12-11(6-9-4-2-1-3-5-9)14(20)19-13(18-12)10(7-16)8-17-19/h1-5,8,20H,6H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 35n/an/an/an/an/an/a



BASF-SE

Curated by ChEMBL


Assay Description
Inhibition of Arabidopsis thaliana IspD


Pest Manag Sci 69: 559-63 (2013)


BindingDB Entry DOI: 10.7270/Q2DZ0C67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)