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BDBM50429438 CHEMBL2338598

SMILES: Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccnc1

InChI Key: InChIKey=LJAIBEICVMCECN-RXQGYGPJNA-N

Data: 1 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 1 hit for monomerid = 50429438   
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50429438
PNG
(CHEMBL2338598)
Show SMILES Clc1cccc(c1)C(=O)N[C@H]1CCC[C@@H](C1)NC(=O)c1cccnc1
Show InChI InChI=1/C19H20ClN3O2/c20-15-6-1-4-13(10-15)18(24)22-16-7-2-8-17(11-16)23-19(25)14-5-3-9-21-12-14/h1,3-6,9-10,12,16-17H,2,7-8,11H2,(H,22,24)(H,23,25)/t16-,17-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 612n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in HEK293 cells assessed as inhibition of Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 23: 1398-406 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.078
BindingDB Entry DOI: 10.7270/Q2Q241KC
More data for this
Ligand-Target Pair