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SMILES: Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccc(Br)cc1

InChI Key: InChIKey=ORYSBPPSHNFGCU-PCJQJBIFSA-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 2 hits for monomerid = 463802   
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))
BDBM463802
PNG
(US10787419, Serial # 14 | US10787419, Serial # 20)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccc(Br)cc1 |t:8|
Show InChI InChI=1S/C29H21BrCl2N4O2S/c30-22-10-6-20(7-11-22)27(33)29(35-39(37,38)25-16-14-24(32)15-17-25)36-18-26(19-4-2-1-3-5-19)28(34-36)21-8-12-23(31)13-9-21/h1-17,26,33H,18H2/b33-27?,35-29+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
27n/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
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM463802
PNG
(US10787419, Serial # 14 | US10787419, Serial # 20)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N\S(=O)(=O)c1ccc(Cl)cc1)\C(=N)c1ccc(Br)cc1 |t:8|
Show InChI InChI=1S/C29H21BrCl2N4O2S/c30-22-10-6-20(7-11-22)27(33)29(35-39(37,38)25-16-14-24(32)15-17-25)36-18-26(19-4-2-1-3-5-19)28(34-36)21-8-12-23(31)13-9-21/h1-17,26,33H,18H2/b33-27?,35-29+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
56n/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