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BDBM50309544 2-Methyl-5-methylsulfanyl-1-phenyl-1H-imidazole-4-carboxylic acid adamantan-1-ylamide::CHEMBL596671

SMILES: CSc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=KBHMFUOYMFGCCE-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309544   
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309544
PNG
(2-Methyl-5-methylsulfanyl-1-phenyl-1H-imidazole-4-...)
Show SMILES CSc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C22H27N3OS/c1-14-23-19(21(27-2)25(14)18-6-4-3-5-7-18)20(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H,24,26)
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PC cid
PC sid
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Article
PubMed
10n/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))
BDBM50309544
PNG
(2-Methyl-5-methylsulfanyl-1-phenyl-1H-imidazole-4-...)
Show SMILES CSc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C22H27N3OS/c1-14-23-19(21(27-2)25(14)18-6-4-3-5-7-18)20(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17H,8-13H2,1-2H3,(H,24,26)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/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