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SMILES: N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=OSYZZQUHPRJBMP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50230381   
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))
BDBM50230381
PNG
(CHEMBL4068564)
Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |c:19,TLB:1:33:36:40.39.38,THB:34:35:38:42.33.41,34:33:36.35.40:38,1:33:36.35.40:38,41:33:36:40.39.38,41:39:36:42.34.33|
Show InChI InChI=1S/C33H33Cl2N5O2S/c34-26-8-6-25(7-9-26)30-29(24-4-2-1-3-5-24)20-40(38-30)32(39-43(41,42)28-12-10-27(35)11-13-28)37-31(36)33-17-21-14-22(18-33)16-23(15-21)19-33/h1-13,21-23,29H,14-20H2,(H2,36,37,39)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/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)


Article DOI: 10.1021/acs.jmedchem.6b01504
BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50230381
PNG
(CHEMBL4068564)
Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |c:19,TLB:1:33:36:40.39.38,THB:34:35:38:42.33.41,34:33:36.35.40:38,1:33:36.35.40:38,41:33:36:40.39.38,41:39:36:42.34.33|
Show InChI InChI=1S/C33H33Cl2N5O2S/c34-26-8-6-25(7-9-26)30-29(24-4-2-1-3-5-24)20-40(38-30)32(39-43(41,42)28-12-10-27(35)11-13-28)37-31(36)33-17-21-14-22(18-33)16-23(15-21)19-33/h1-13,21-23,29H,14-20H2,(H2,36,37,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
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)


Article DOI: 10.1021/acs.jmedchem.6b01504
BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230381
PNG
(CHEMBL4068564)
Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |c:19,TLB:1:33:36:40.39.38,THB:34:35:38:42.33.41,34:33:36.35.40:38,1:33:36.35.40:38,41:33:36:40.39.38,41:39:36:42.34.33|
Show InChI InChI=1S/C33H33Cl2N5O2S/c34-26-8-6-25(7-9-26)30-29(24-4-2-1-3-5-24)20-40(38-30)32(39-43(41,42)28-12-10-27(35)11-13-28)37-31(36)33-17-21-14-22(18-33)16-23(15-21)19-33/h1-13,21-23,29H,14-20H2,(H2,36,37,39)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 226n/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)


Article DOI: 10.1021/acs.jmedchem.6b01504
BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair