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BDBM50364932 CHEMBL1950347

SMILES: CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1

InChI Key: InChIKey=JLIPXPWKQFJTPO-UHFFFAOYSA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364932   
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 1


(Homo sapiens (Human))
BDBM50364932
PNG
(CHEMBL1950347)
Show SMILES CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C26H37N3O3S/c1-3-16-33(31,32)29-24-9-8-20(26(30)27-13-10-19(2)11-14-27)17-22(24)23-18-28(15-12-25(23)29)21-6-4-5-7-21/h8-9,17,19,21H,3-7,10-16,18H2,1-2H3
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 1619-24 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.124
BindingDB Entry DOI: 10.7270/Q24J0FJX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50364932
PNG
(CHEMBL1950347)
Show SMILES CCCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCCC1
Show InChI InChI=1S/C26H37N3O3S/c1-3-16-33(31,32)29-24-9-8-20(26(30)27-13-10-19(2)11-14-27)17-22(24)23-18-28(15-12-25(23)29)21-6-4-5-7-21/h8-9,17,19,21H,3-7,10-16,18H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 22n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in HEK293 EBNA cells by [35S]GTPgamma binding assay


Bioorg Med Chem Lett 22: 1619-24 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.124
BindingDB Entry DOI: 10.7270/Q24J0FJX
More data for this
Ligand-Target Pair