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BDBM50303537 CHEMBL570877::Methyl 3-(3-(2,2,3,3-Tetramethylcyclopropanecarbonyl)-1Hindol-1-yl)propanoate

SMILES: COC(=O)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12

InChI Key: InChIKey=ANOMNNUJQGKDNX-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 = 50303537   
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))
BDBM50303537
PNG
(CHEMBL570877 | Methyl 3-(3-(2,2,3,3-Tetramethylcyc...)
Show SMILES COC(=O)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
Show InChI InChI=1S/C20H25NO3/c1-19(2)18(20(19,3)4)17(23)14-12-21(11-10-16(22)24-5)15-9-7-6-8-13(14)15/h6-9,12,18H,10-11H2,1-5H3
PDB

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/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))
BDBM50303537
PNG
(CHEMBL570877 | Methyl 3-(3-(2,2,3,3-Tetramethylcyc...)
Show SMILES COC(=O)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
Show InChI InChI=1S/C20H25NO3/c1-19(2)18(20(19,3)4)17(23)14-12-21(11-10-16(22)24-5)15-9-7-6-8-13(14)15/h6-9,12,18H,10-11H2,1-5H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.83E+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))
BDBM50303537
PNG
(CHEMBL570877 | Methyl 3-(3-(2,2,3,3-Tetramethylcyc...)
Show SMILES COC(=O)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc12
Show InChI InChI=1S/C20H25NO3/c1-19(2)18(20(19,3)4)17(23)14-12-21(11-10-16(22)24-5)15-9-7-6-8-13(14)15/h6-9,12,18H,10-11H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 17n/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