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BDBM50198701 CHEMBL3928040

SMILES: C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)c(Cl)c1)c1ccccn1

InChI Key: InChIKey=FNJXDPLNWFEMPF-RILMWAFASA-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 = 50198701   
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))
BDBM50198701
PNG
(CHEMBL3928040)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl2FN4O/c1-18(26-8-4-5-15-33-26)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(32)12-10-19)28(23)36(35-27)22-13-14-24(30)25(31)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/m1/s1
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50198701
PNG
(CHEMBL3928040)
Show SMILES C[C@@H](NC(=O)c1nn(c2c1CCCC\C2=C/c1ccc(F)cc1)-c1ccc(Cl)c(Cl)c1)c1ccccn1 |r|
Show InChI InChI=1S/C29H25Cl2FN4O/c1-18(26-8-4-5-15-33-26)34-29(37)27-23-7-3-2-6-20(16-19-9-11-21(32)12-10-19)28(23)36(35-27)22-13-14-24(30)25(31)17-22/h4-5,8-18H,2-3,6-7H2,1H3,(H,34,37)/b20-16+/t18-/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 35n/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