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BDBM50316922 (R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N,N-dimethylpyrrolidin-3-amine::CHEMBL1087367

SMILES: COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1

InChI Key: InChIKey=ZCRCTVHOBQJBNB-QGZVFWFLSA-N

Data: 2 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 5 hits for monomerid = 50316922   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50316922
PNG
((R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-y...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-23(2)17-12-13-24(15-17)21-22-19-6-4-5-7-20(19)25(21)14-16-8-10-18(26-3)11-9-16/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
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Article
PubMed
8.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50316922
PNG
((R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-y...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-23(2)17-12-13-24(15-17)21-22-19-6-4-5-7-20(19)25(21)14-16-8-10-18(26-3)11-9-16/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
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PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50316922
PNG
((R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-y...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-23(2)17-12-13-24(15-17)21-22-19-6-4-5-7-20(19)25(21)14-16-8-10-18(26-3)11-9-16/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316922
PNG
((R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-y...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-23(2)17-12-13-24(15-17)21-22-19-6-4-5-7-20(19)25(21)14-16-8-10-18(26-3)11-9-16/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
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n/an/a 492n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by electrophysiology assay


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50316922
PNG
((R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-y...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-23(2)17-12-13-24(15-17)21-22-19-6-4-5-7-20(19)25(21)14-16-8-10-18(26-3)11-9-16/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
PDB

UniProtKB/SwissProt
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair