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BDBM50311876 CHEMBL1075626::N-(3-bromophenyl)-6-chloroquinazolin-4-amine

SMILES: Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

InChI Key: InChIKey=NBEFPXHBLZGXNK-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50311876   
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


(Rattus norvegicus (Rat))
BDBM50311876
PNG
(CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...)
Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
249n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50311876
PNG
(CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...)
Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 955n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in BHK cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50311876
PNG
(CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...)
Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 124n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair