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BDBM50349558 CHEMBL1808887

SMILES: CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1

InChI Key: InChIKey=ZFWJHRHYLANHPY-UHFFFAOYNA-N

Data: 1 KI  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 2 hits for monomerid = 50349558   
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))
BDBM50349558
PNG
(CHEMBL1808887)
Show SMILES CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1
Show InChI InChI=1/C23H24ClN3O2S/c1-23(2,29)13-16-12-19(15-5-3-6-17(24)11-15)26-14-18(16)20-7-4-9-27(20)22(28)21-25-8-10-30-21/h3,5-6,8,10-12,14,20,29H,4,7,9,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from human mGluR5 expressed in CHO cells after 60 mins


Bioorg Med Chem Lett 21: 4891-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.014
BindingDB Entry DOI: 10.7270/Q2CN748G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50349558
PNG
(CHEMBL1808887)
Show SMILES CC(C)(O)Cc1cc(ncc1C1CCCN1C(=O)c1nccs1)-c1cccc(Cl)c1
Show InChI InChI=1/C23H24ClN3O2S/c1-23(2,29)13-16-12-19(15-5-3-6-17(24)11-15)26-14-18(16)20-7-4-9-27(20)22(28)21-25-8-10-30-21/h3,5-6,8,10-12,14,20,29H,4,7,9,13H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization aft...


Bioorg Med Chem Lett 21: 4891-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.014
BindingDB Entry DOI: 10.7270/Q2CN748G
More data for this
Ligand-Target Pair