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BDBM50042704 CHEMBL3353885

SMILES: CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cn2)C(F)(F)F)on1

InChI Key: InChIKey=GGFVQUNFMXUPON-LDGXTIHJNA-N

Data: 2 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 = 50042704   
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))
BDBM50042704
PNG
(CHEMBL3353885)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cn2)C(F)(F)F)on1
Show InChI InChI=1/C18H19F3N4O3/c1-17(2,3)12-8-14(28-24-12)23-16(27)11-5-7-15(26)25(11)13-6-4-10(9-22-13)18(19,20)21/h4,6,8-9,11H,5,7H2,1-3H3,(H,23,27)/t11-/s2
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.190n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50042704
PNG
(CHEMBL3353885)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cn2)C(F)(F)F)on1
Show InChI InChI=1/C18H19F3N4O3/c1-17(2,3)12-8-14(28-24-12)23-16(27)11-5-7-15(26)25(11)13-6-4-10(9-22-13)18(19,20)21/h4,6,8-9,11H,5,7H2,1-3H3,(H,23,27)/t11-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins


Bioorg Med Chem Lett 25: 581-6 (2015)

More data for this
Ligand-Target Pair