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BDBM50336921 3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-2-yl)-N-(6-methylpyridin-3-yl)pyridin-2-amine::CHEMBL1672539

SMILES: CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1

InChI Key: InChIKey=RGKVPYQYBUAAEH-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50336921   
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 5


(Homo sapiens (Human))
BDBM50336921
PNG
(3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...)
Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human recombinant mGlu5 receptor


ACS Med Chem Lett 2: 58-62 (2011)


Article DOI: 10.1021/ml100215b
BindingDB Entry DOI: 10.7270/Q22R3RZM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50336921
PNG
(3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...)
Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from mGlu5 receptor in rat brain tissue


ACS Med Chem Lett 2: 58-62 (2011)


Article DOI: 10.1021/ml100215b
BindingDB Entry DOI: 10.7270/Q22R3RZM
More data for this
Ligand-Target Pair
GRM7


(Homo sapiens (Human))
BDBM50336921
PNG
(3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...)
Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu7 receptor


ACS Med Chem Lett 2: 58-62 (2011)


Article DOI: 10.1021/ml100215b
BindingDB Entry DOI: 10.7270/Q22R3RZM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50336921
PNG
(3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...)
Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay


ACS Med Chem Lett 2: 58-62 (2011)


Article DOI: 10.1021/ml100215b
BindingDB Entry DOI: 10.7270/Q22R3RZM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50336921
PNG
(3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...)
Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


ACS Med Chem Lett 2: 58-62 (2011)


Article DOI: 10.1021/ml100215b
BindingDB Entry DOI: 10.7270/Q22R3RZM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50336921
PNG
(3-chloro-5-(7-chloro-1-propyl-1H-benzo[d]imidazol-...)
Show SMILES CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)
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antibodypedia
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu2 receptor


ACS Med Chem Lett 2: 58-62 (2011)


Article DOI: 10.1021/ml100215b
BindingDB Entry DOI: 10.7270/Q22R3RZM
More data for this
Ligand-Target Pair