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BDBM50401087 CHEMBL2204440

SMILES: COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(O)=O

InChI Key: InChIKey=IVBZEDXONVQDIV-IBGZPJMESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50401087   
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 3


(Homo sapiens (Human))
BDBM50401087
PNG
(CHEMBL2204440)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.75E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401087
PNG
(CHEMBL2204440)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair