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BDBM50309539 5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxylic acid adamantan-1-ylamide::CHEMBL597438

SMILES: CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=QXLOUNSVCXFKFD-UHFFFAOYSA-N

Data: 4 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50309539   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309539
PNG
(5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H33N3O/c1-3-4-10-22-23(26-17(2)28(22)21-8-6-5-7-9-21)24(29)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-9,18-20H,3-4,10-16H2,1-2H3,(H,27,29)
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Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309539
PNG
(5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H33N3O/c1-3-4-10-22-23(26-17(2)28(22)21-8-6-5-7-9-21)24(29)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-9,18-20H,3-4,10-16H2,1-2H3,(H,27,29)
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Article
PubMed
9.80n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309539
PNG
(5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H33N3O/c1-3-4-10-22-23(26-17(2)28(22)21-8-6-5-7-9-21)24(29)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-9,18-20H,3-4,10-16H2,1-2H3,(H,27,29)
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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50309539
PNG
(5-Butyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCCCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H33N3O/c1-3-4-10-22-23(26-17(2)28(22)21-8-6-5-7-9-21)24(29)27-25-14-18-11-19(15-25)13-20(12-18)16-25/h5-9,18-20H,3-4,10-16H2,1-2H3,(H,27,29)
PDB

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Reactome pathway
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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair