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

InChI Key: InChIKey=XZHISHCABYOAHC-CTYQQEKESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 463829   
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))		BDBM463829
PNG
(US10787419, Serial # 38)
Show SMILES CCN(CC)C(=N)C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:23|
Show InChI InChI=1S/C27H27Cl2N5O2S/c1-3-33(4-2)26(30)27(32-37(35,36)23-16-14-22(29)15-17-23)34-18-24(19-8-6-5-7-9-19)25(31-34)20-10-12-21(28)13-11-20/h5-17,24,30H,3-4,18H2,1-2H3/b30-26?,32-27+
PDB

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PC cid
PC sid
UniChem
US Patent
 49n/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