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BDBM50303524 (1-Propyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone::CHEMBL579241

SMILES: CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12

InChI Key: InChIKey=BKFRFHCIZQYHLV-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50303524   
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))
BDBM50303524
PNG
((1-Propyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclop...)
Show SMILES CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
Show InChI InChI=1S/C19H25NO/c1-6-11-20-12-14(13-9-7-8-10-15(13)20)16(21)17-18(2,3)19(17,4)5/h7-10,12,17H,6,11H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303524
PNG
((1-Propyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclop...)
Show SMILES CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
Show InChI InChI=1S/C19H25NO/c1-6-11-20-12-14(13-9-7-8-10-15(13)20)16(21)17-18(2,3)19(17,4)5/h7-10,12,17H,6,11H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50303524
PNG
((1-Propyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclop...)
Show SMILES CCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
Show InChI InChI=1S/C19H25NO/c1-6-11-20-12-14(13-9-7-8-10-15(13)20)16(21)17-18(2,3)19(17,4)5/h7-10,12,17H,6,11H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 36n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coexpressing Galphaq/o5 assessed as calcium mobilization by FLIPR assay


J Med Chem 53: 295-315 (2010)


Article DOI: 10.1021/jm901214q
BindingDB Entry DOI: 10.7270/Q2KD1Z00
More data for this
Ligand-Target Pair