BindingDB logo
myBDB logout

null

SMILES: Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=QEOOAKALKUTKMW-XKMRCYARSA-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 1 hit for monomerid = 463789   
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))
BDBM463789
PNG
(US10787419, Serial # 7)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C12CC3CC(CC(C3)C1)C2 |t:8,TLB:33:34:38:31.32.37,THB:33:32:38:34.39.35,35:34:31:38.37.36,35:36:31:34.33.39|
Show InChI InChI=1S/C32H31Cl2N3O2S/c33-26-8-6-25(7-9-26)30-29(24-4-2-1-3-5-24)20-37(35-30)31(36-40(38,39)28-12-10-27(34)11-13-28)32-17-21-14-22(18-32)16-23(15-21)19-32/h1-13,21-23,29H,14-20H2/b36-31+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
15n/an/an/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
Measuring its tissue levels 1 hour after administration of 10 mg/kg to mice, plasma levels were comparable after oral or i.p. administration (indicat...


US Patent US10787419 (2020)


BindingDB Entry DOI: 10.7270/Q2HH6P4S
More data for this
Ligand-Target Pair