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BDBM143552 US9682955, 76

SMILES: OCCNC(=O)CCc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=VMZDHGAEHCHJQC-UHFFFAOYSA-N

Data: 2 EC50

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 = 143552   
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 2


(Homo sapiens (Human))
BDBM143552
PNG
(US9682955, 76)
Show SMILES OCCNC(=O)CCc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H37Cl2N5O2/c38-29-9-4-26(5-10-29)36(27-6-11-30(39)12-7-27)28-8-15-34-33(23-28)37(42-24-41-34)43-31-17-20-44(21-18-31)32-13-1-25(2-14-32)3-16-35(46)40-19-22-45/h1-2,4-15,23-24,31,36,45H,3,16-22H2,(H,40,46)(H,41,42,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+4n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...


US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM143552
PNG
(US9682955, 76)
Show SMILES OCCNC(=O)CCc1ccc(cc1)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C37H37Cl2N5O2/c38-29-9-4-26(5-10-29)36(27-6-11-30(39)12-7-27)28-8-15-34-33(23-28)37(42-24-41-34)43-31-17-20-44(21-18-31)32-13-1-25(2-14-32)3-16-35(46)40-19-22-45/h1-2,4-15,23-24,31,36,45H,3,16-22H2,(H,40,46)(H,41,42,43)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.39E+3n/an/an/a27



Janssen Pharmaceutica NV

US Patent


Assay Description
The following mixtures and buffer solutions were prepared: (a) Buffer 1: HBSS (Mediatech Cat#21-023-CV) with 5 mM HEPES (1 mM stock, Gibco BRL Cat#15...


US Patent US9682955 (2017)


BindingDB Entry DOI: 10.7270/Q2707ZM3
More data for this
Ligand-Target Pair