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BDBM50364937 CHEMBL1950353

SMILES: CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCOCC1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=DVKUHMWHFDIMJO-UHFFFAOYSA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364937   
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))
BDBM50364937
PNG
(CHEMBL1950353)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCOCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H35N3O4S/c1-21-9-14-30(15-10-21)29(33)22-7-8-27-25(19-22)26-20-31(23-12-17-36-18-13-23)16-11-28(26)32(27)37(34,35)24-5-3-2-4-6-24/h2-8,19,21,23H,9-18,20H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
31n/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))
BDBM50364937
PNG
(CHEMBL1950353)
Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCOCC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C29H35N3O4S/c1-21-9-14-30(15-10-21)29(33)22-7-8-27-25(19-22)26-20-31(23-12-17-36-18-13-23)16-11-28(26)32(27)37(34,35)24-5-3-2-4-6-24/h2-8,19,21,23H,9-18,20H2,1H3
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 59n/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