BindingDB logo
myBDB logout

BDBM143572 US9682955, 54

SMILES: OCC(CO)(CO)COc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=ONTYEGURWWIAAP-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 = 143572   
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))
BDBM143572
PNG
(US9682955, 54)
Show SMILES OCC(CO)(CO)COc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2F3N3O4/c35-26-9-4-22(5-10-26)30(23-6-11-27(36)12-7-23)24-8-13-29-28(15-24)31(40-16-21-2-1-3-25(14-21)34(37,38)39)42-32(41-29)46-20-33(17-43,18-44)19-45/h1-15,30,43-45H,16-20H2,(H,40,41,42)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.46E+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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM143572
PNG
(US9682955, 54)
Show SMILES OCC(CO)(CO)COc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30Cl2F3N3O4/c35-26-9-4-22(5-10-26)30(23-6-11-27(36)12-7-23)24-8-13-29-28(15-24)31(40-16-21-2-1-3-25(14-21)34(37,38)39)42-32(41-29)46-20-33(17-43,18-44)19-45/h1-15,30,43-45H,16-20H2,(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 21n/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