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BDBM50311887 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine::CHEMBL1079374::cid_720635

SMILES: Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1

InChI Key: InChIKey=LYKXFKUSOXETGV-UHFFFAOYSA-N

Data: 1 KI  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 4 hits for monomerid = 50311887   
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))
BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
PDB
MMDB

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PC sid
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Article
PubMed
116n/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


(Rattus norvegicus (Rat))
BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
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n/an/a 256n/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
Prion protein


(Homo sapiens (Human))
BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
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PCBioAssay
n/an/a 6.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 398n/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