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SMILES: C\C(N)=N/C(=N\S(=O)(=O)c1ccc(OC(F)(F)F)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=UJIPVRLTXLGCIN-UHFFFAOYSA-N

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 3 hits for monomerid = 50230378   
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


(Mus musculus (Mouse))
BDBM50230378
PNG
(CHEMBL4077892)
Show SMILES C\C(N)=N/C(=N\S(=O)(=O)c1ccc(OC(F)(F)F)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24|
Show InChI InChI=1S/C25H21ClF3N5O3S/c1-16(30)31-24(33-38(35,36)21-13-11-20(12-14-21)37-25(27,28)29)34-15-22(17-5-3-2-4-6-17)23(32-34)18-7-9-19(26)10-8-18/h2-14,22H,15H2,1H3,(H2,30,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
138n/an/an/an/an/an/an/an/a



National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse brain CB1R expressed in CHOK1 cell membranes


J Med Chem 60: 1126-1141 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50230378
PNG
(CHEMBL4077892)
Show SMILES C\C(N)=N/C(=N\S(=O)(=O)c1ccc(OC(F)(F)F)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24|
Show InChI InChI=1S/C25H21ClF3N5O3S/c1-16(30)31-24(33-38(35,36)21-13-11-20(12-14-21)37-25(27,28)29)34-15-22(17-5-3-2-4-6-17)23(32-34)18-7-9-19(26)10-8-18/h2-14,22H,15H2,1H3,(H2,30,31,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB2R expressed in CHOK1 cell membranes


J Med Chem 60: 1126-1141 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230378
PNG
(CHEMBL4077892)
Show SMILES C\C(N)=N/C(=N\S(=O)(=O)c1ccc(OC(F)(F)F)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:24|
Show InChI InChI=1S/C25H21ClF3N5O3S/c1-16(30)31-24(33-38(35,36)21-13-11-20(12-14-21)37-25(27,28)29)34-15-22(17-5-3-2-4-6-17)23(32-34)18-7-9-19(26)10-8-18/h2-14,22H,15H2,1H3,(H2,30,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 76n/an/an/an/an/an/a



National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Inverse agonist at mouse brain CB1R expressed in CHOK1 cell membranes assessed as inhibition of CP55940-stimulated [35S]GTP-gammaS binding measured a...


J Med Chem 60: 1126-1141 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair