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BDBM50380854 CHEMBL2018658

SMILES: CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCO

InChI Key: InChIKey=KOIMCUUFJKMCIR-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50380854   
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))
BDBM50380854
PNG
(CHEMBL2018658)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCO
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB2 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380854
PNG
(CHEMBL2018658)
Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)NCCCO
Show InChI InChI=1S/C26H41N3O4/c1-26(2,25(33)27-15-10-16-30)28-23(31)21-17-20-13-8-3-4-9-14-22(20)29(24(21)32)18-19-11-6-5-7-12-19/h17,19,30H,3-16,18H2,1-2H3,(H,27,33)(H,28,31)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis


Bioorg Med Chem Lett 22: 2894-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.054
BindingDB Entry DOI: 10.7270/Q2NV9K85
More data for this
Ligand-Target Pair