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BDBM50260751 (S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-(4-hydroxy-tetrahydro-2H-pyran-4-yl)ethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide::CHEMBL497124

SMILES: CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCC2(O)CCOCC2)c1=O)C(N)=O

InChI Key: InChIKey=HTUSIRLLEGBZGH-MRXNPFEDSA-N

Data: 1 KI  1 IC50

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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 2 hits for monomerid = 50260751   
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))
BDBM50260751
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCC2(O)CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C21H30N4O5/c1-20(2,3)16(17(22)26)23-18(27)25-15-7-5-4-6-14(15)24(19(25)28)11-8-21(29)9-12-30-13-10-21/h4-7,16,29H,8-13H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m1/s1
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PC cid
PC sid
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Article
PubMed
144n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260751
PNG
((S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-(2-...)
Show SMILES CC(C)(C)[C@H](NC(=O)n1c2ccccc2n(CCC2(O)CCOCC2)c1=O)C(N)=O |r|
Show InChI InChI=1S/C21H30N4O5/c1-20(2,3)16(17(22)26)23-18(27)25-15-7-5-4-6-14(15)24(19(25)28)11-8-21(29)9-12-30-13-10-21/h4-7,16,29H,8-13H2,1-3H3,(H2,22,26)(H,23,27)/t16-/m1/s1
PDB

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KEGG

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from human CB1 receptor


Bioorg Med Chem Lett 18: 3310-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.032
BindingDB Entry DOI: 10.7270/Q2VD70C3
More data for this
Ligand-Target Pair