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BDBM186216 US9163015, 2

SMILES: Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl

InChI Key: InChIKey=SBDWTBISUBYOMI-UHFFFAOYSA-N

Data: 1 IC50  4 EC50

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 5 hits for monomerid = 186216   
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 4 (mGluR4)


(Homo sapiens (Human))
BDBM186216
PNG
(US9163015, 2)
Show SMILES Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
Show InChI InChI=1S/C12H8ClFN4/c13-8-6-7(3-4-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)
PDB

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US Patent
n/an/an/an/a 33n/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The disclosed compounds and compositions can be evaluated for their ability to act as a potentiator of metabotropic glutamate receptor activity, in p...


US Patent US9163015 (2015)


BindingDB Entry DOI: 10.7270/Q2JW8CNN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM186216
PNG
(US9163015, 2)
Show SMILES Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
Show InChI InChI=1S/C12H8ClFN4/c13-8-6-7(3-4-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 68n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 2915-2919 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.041
BindingDB Entry DOI: 10.7270/Q2348N9V
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM186216
PNG
(US9163015, 2)
Show SMILES Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
Show InChI InChI=1S/C12H8ClFN4/c13-8-6-7(3-4-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 68n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR4 expressed in CHO cells co-expressing Gqi5 assessed as increase in glutamate-induced calcium flux prein...


Bioorg Med Chem Lett 28: 2641-2646 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.034
BindingDB Entry DOI: 10.7270/Q2DR2Z5H
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM186216
PNG
(US9163015, 2)
Show SMILES Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
Show InChI InChI=1S/C12H8ClFN4/c13-8-6-7(3-4-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


Bioorg Med Chem Lett 28: 2641-2646 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.034
BindingDB Entry DOI: 10.7270/Q2DR2Z5H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM186216
PNG
(US9163015, 2)
Show SMILES Fc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
Show InChI InChI=1S/C12H8ClFN4/c13-8-6-7(3-4-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 67n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


Bioorg Med Chem Lett 26: 2915-2919 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.041
BindingDB Entry DOI: 10.7270/Q2348N9V
More data for this
Ligand-Target Pair