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BDBM50273896 CHEMBL453249::tert-Butyl-4-[1-pyridin-3-yl-1 H-1,2,3-triazol-4-yl]-3,6-dihydropyridine-1(2H)-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1

InChI Key: InChIKey=BZAKDBCUMWDPGV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50273896   
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 1


(Homo sapiens (Human))
BDBM50273896
PNG
(CHEMBL453249 | tert-Butyl-4-[1-pyridin-3-yl-1 H-1,...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1
Show InChI InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-9-6-13(7-10-21)15-12-22(20-19-15)14-5-4-8-18-11-14/h4-6,8,11-12H,7,9-10H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 16: 9817-29 (2008)


Article DOI: 10.1016/j.bmc.2008.09.060
BindingDB Entry DOI: 10.7270/Q2QN66K2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50273896
PNG
(CHEMBL453249 | tert-Butyl-4-[1-pyridin-3-yl-1 H-1,...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1
Show InChI InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-9-6-13(7-10-21)15-12-22(20-19-15)14-5-4-8-18-11-14/h4-6,8,11-12H,7,9-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in CHO cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 16: 9817-29 (2008)


Article DOI: 10.1016/j.bmc.2008.09.060
BindingDB Entry DOI: 10.7270/Q2QN66K2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Mus musculus)
BDBM50273896
PNG
(CHEMBL453249 | tert-Butyl-4-[1-pyridin-3-yl-1 H-1,...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1
Show InChI InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-9-6-13(7-10-21)15-12-22(20-19-15)14-5-4-8-18-11-14/h4-6,8,11-12H,7,9-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 16: 9817-29 (2008)


Article DOI: 10.1016/j.bmc.2008.09.060
BindingDB Entry DOI: 10.7270/Q2QN66K2
More data for this
Ligand-Target Pair