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BDBM50198723 CHEMBL3906628

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

InChI Key: InChIKey=ZBAGVNLOHADOLK-DDNKWHRWSA-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 = 50198723   
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))
BDBM50198723
PNG
(CHEMBL3906628)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)CNS(C)(=O)=O)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C30H28ClFN6O4S/c1-19(26-5-3-4-14-33-26)35-30(40)28-25-18-37(27(39)16-34-43(2,41)42)17-21(15-20-6-10-23(32)11-7-20)29(25)38(36-28)24-12-8-22(31)9-13-24/h3-15,19,34H,16-18H2,1-2H3,(H,35,40)/b21-15+/t19-/m1/s1
PDB

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PC cid
PC sid
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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 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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198723
PNG
(CHEMBL3906628)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CN(C\C2=C/c1ccc(F)cc1)C(=O)CNS(C)(=O)=O)-c1ccc(Cl)cc1)c1ccccn1 |r|
Show InChI InChI=1S/C30H28ClFN6O4S/c1-19(26-5-3-4-14-33-26)35-30(40)28-25-18-37(27(39)16-34-43(2,41)42)17-21(15-20-6-10-23(32)11-7-20)29(25)38(36-28)24-12-8-22(31)9-13-24/h3-15,19,34H,16-18H2,1-2H3,(H,35,40)/b21-15+/t19-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/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