BindingDB logo
myBDB logout

BDBM50431702 CHEMBL2349528

SMILES: Clc1cccc(NC(=O)c2noc3CCCc23)c1

InChI Key: InChIKey=YEYBSOOLSUEJAG-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50431702   
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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM50431702
PNG
(CHEMBL2349528)
Show SMILES Clc1cccc(NC(=O)c2noc3CCCc23)c1
Show InChI InChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His tagged human APE1 expressed in Escherichia coli BL21 (Rosetta) using fluorescein-dabcyl-containing oligonucleotide ...


Bioorg Med Chem 25: 2531-2544 (2017)


BindingDB Entry DOI: 10.7270/Q2P55R4B
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50431702
PNG
(CHEMBL2349528)
Show SMILES Clc1cccc(NC(=O)c2noc3CCCc23)c1
Show InChI InChI=1S/C13H11ClN2O2/c14-8-3-1-4-9(7-8)15-13(17)12-10-5-2-6-11(10)18-16-12/h1,3-4,7H,2,5-6H2,(H,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 63n/an/an/an/an/an/a



SK Biopharmaceuticals

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 2134-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.116
BindingDB Entry DOI: 10.7270/Q20R9QR5
More data for this
Ligand-Target Pair