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BDBM143525 US9682955, 69

SMILES: CC(=O)NCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=BEFWYSPPWMELNC-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 143525   
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))
BDBM143525
PNG
(US9682955, 69)
Show SMILES CC(=O)NCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H27Cl2F3N4O2/c1-20(43)39-16-17-44-32-41-29-15-8-24(30(22-4-11-26(34)12-5-22)23-6-13-27(35)14-7-23)18-28(29)31(42-32)40-19-21-2-9-25(10-3-21)33(36,37)38/h2-15,18,30H,16-17,19H2,1H3,(H,39,43)(H,40,41,42)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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))
BDBM143525
PNG
(US9682955, 69)
Show SMILES CC(=O)NCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H27Cl2F3N4O2/c1-20(43)39-16-17-44-32-41-29-15-8-24(30(22-4-11-26(34)12-5-22)23-6-13-27(35)14-7-23)18-28(29)31(42-32)40-19-21-2-9-25(10-3-21)33(36,37)38/h2-15,18,30H,16-17,19H2,1H3,(H,39,43)(H,40,41,42)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 98n/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