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SMILES: CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(cc2)C(F)(F)F)no1

InChI Key: InChIKey=VNBACJVORYHCRA-IBGZPJMESA-N

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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 = 50063925   
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))
BDBM50063925
PNG
(CHEMBL3400944)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C20H24F3N3O2/c1-18(2,3)15-12-16(25-28-15)24-17(27)19(4)10-5-11-26(19)14-8-6-13(7-9-14)20(21,22)23/h6-9,12H,5,10-11H2,1-4H3,(H,24,25,27)/t19-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.033
BindingDB Entry DOI: 10.7270/Q2222WGQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063925
PNG
(CHEMBL3400944)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C20H24F3N3O2/c1-18(2,3)15-12-16(25-28-15)24-17(27)19(4)10-5-11-26(19)14-8-6-13(7-9-14)20(21,22)23/h6-9,12H,5,10-11H2,1-4H3,(H,24,25,27)/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.290n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins


Bioorg Med Chem Lett 25: 575-80 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.033
BindingDB Entry DOI: 10.7270/Q2222WGQ
More data for this
Ligand-Target Pair