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BDBM50063926 CHEMBL3400945

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

InChI Key: InChIKey=QIGKNCJASZEQPS-TWYLJJHKNA-N

Data: 2 EC50

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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 = 50063926   
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))
BDBM50063926
PNG
(CHEMBL3400945)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C19H24ClN3O2/c1-18(2,3)15-12-16(22-25-15)21-17(24)19(4)10-5-11-23(19)14-8-6-13(20)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,24)/t19-/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 54n/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
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063926
PNG
(CHEMBL3400945)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C19H24ClN3O2/c1-18(2,3)15-12-16(22-25-15)21-17(24)19(4)10-5-11-23(19)14-8-6-13(20)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,24)/t19-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.210n/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
More data for this
Ligand-Target Pair