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BDBM50232928 CHEMBL4064165

SMILES: Cc1cc(ccc1Cl)-c1cc(C(=O)NCCN2CCOCC2)c(=O)n(Cc2ccc(F)cc2)n1

InChI Key: InChIKey=BWTLMPMWGZBQDQ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232928   
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))
BDBM50232928
PNG
(CHEMBL4064165)
Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NCCN2CCOCC2)c(=O)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C25H26ClFN4O3/c1-17-14-19(4-7-22(17)26)23-15-21(24(32)28-8-9-30-10-12-34-13-11-30)25(33)31(29-23)16-18-2-5-20(27)6-3-18/h2-7,14-15H,8-13,16H2,1H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
311n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50232928
PNG
(CHEMBL4064165)
Show SMILES Cc1cc(ccc1Cl)-c1cc(C(=O)NCCN2CCOCC2)c(=O)n(Cc2ccc(F)cc2)n1
Show InChI InChI=1S/C25H26ClFN4O3/c1-17-14-19(4-7-22(17)26)23-15-21(24(32)28-8-9-30-10-12-34-13-11-30)25(33)31(29-23)16-18-2-5-20(27)6-3-18/h2-7,14-15H,8-13,16H2,1H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation and luminescence co...


Eur J Med Chem 127: 398-412 (2017)


BindingDB Entry DOI: 10.7270/Q26W9D9V
More data for this
Ligand-Target Pair