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BDBM50198719 CHEMBL3962373

SMILES: FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCC\C(=C/c3ccc(Cl)s3)c12

InChI Key: InChIKey=JRHNCIILHNCYSB-JQIJEIRASA-N

Data: 2 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 2 hits for monomerid = 50198719   
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))
BDBM50198719
PNG
(CHEMBL3962373)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCC\C(=C/c3ccc(Cl)s3)c12
Show InChI InChI=1S/C28H21Cl2F3N4OS/c29-20-15-17(28(31,32)33)7-9-21(20)37-25-16(14-18-8-10-23(30)39-18)4-3-5-19(25)24(36-37)26(38)35-27(11-12-27)22-6-1-2-13-34-22/h1-2,6-10,13-15H,3-5,11-12H2,(H,35,38)/b16-14+
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Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 1 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...


Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198719
PNG
(CHEMBL3962373)
Show SMILES FC(F)(F)c1ccc(c(Cl)c1)-n1nc(C(=O)NC2(CC2)c2ccccn2)c2CCC\C(=C/c3ccc(Cl)s3)c12
Show InChI InChI=1S/C28H21Cl2F3N4OS/c29-20-15-17(28(31,32)33)7-9-21(20)37-25-16(14-18-8-10-23(30)39-18)4-3-5-19(25)24(36-37)26(38)35-27(11-12-27)22-6-1-2-13-34-22/h1-2,6-10,13-15H,3-5,11-12H2,(H,35,38)/b16-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...


Bioorg Med Chem Lett 26: 5346-5349 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.025
BindingDB Entry DOI: 10.7270/Q2MC9207
More data for this
Ligand-Target Pair