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BDBM50198727 CHEMBL3905508

SMILES: C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)CC(N)=O)-c1ccc(Cl)cc1Cl)c1ccccn1

InChI Key: InChIKey=UVZIHKAXDURETI-MIQLPHMESA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50198727   
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))
BDBM50198727
PNG
(CHEMBL3905508)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)CC(N)=O)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C30H25Cl2FN6O3/c1-17(24-4-2-3-11-35-24)36-30(42)28-22-16-38(27(41)14-26(34)40)15-19(12-18-5-8-21(33)9-6-18)29(22)39(37-28)25-10-7-20(31)13-23(25)32/h2-13,17H,14-16H2,1H3,(H2,34,40)(H,36,42)/b19-12+/t17-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt
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DrugBank
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30...


Bioorg Med Chem Lett 26: 5597-5601 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.026
BindingDB Entry DOI: 10.7270/Q2GM898H
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50198727
PNG
(CHEMBL3905508)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)CC(N)=O)-c1ccc(Cl)cc1Cl)c1ccccn1 |r|
Show InChI InChI=1S/C30H25Cl2FN6O3/c1-17(24-4-2-3-11-35-24)36-30(42)28-22-16-38(27(41)14-26(34)40)15-19(12-18-5-8-21(33)9-6-18)29(22)39(37-28)25-10-7-20(31)13-23(25)32/h2-13,17H,14-16H2,1H3,(H2,34,40)(H,36,42)/b19-12+/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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 CB2 receptor transfected in HEK293 cells assessed as increase of forskolin-induced cAMP production incubated for 30...


Bioorg Med Chem Lett 26: 5597-5601 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.026
BindingDB Entry DOI: 10.7270/Q2GM898H
More data for this
Ligand-Target Pair