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BDBM143527 US9682955, 71

SMILES: OCCCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key: InChIKey=VKHICDBOFHQORG-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 = 143527   
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))
BDBM143527
PNG
(US9682955, 71)
Show SMILES OCCCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2F3N3O2/c34-26-12-5-22(6-13-26)30(23-7-14-27(35)15-8-23)24-9-16-29-28(19-24)31(41-32(40-29)43-18-2-1-17-42)39-20-21-3-10-25(11-4-21)33(36,37)38/h3-16,19,30,42H,1-2,17-18,20H2,(H,39,40,41)
PDB

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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))
BDBM143527
PNG
(US9682955, 71)
Show SMILES OCCCCOc1nc(NCc2ccc(cc2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H28Cl2F3N3O2/c34-26-12-5-22(6-13-26)30(23-7-14-27(35)15-8-23)24-9-16-29-28(19-24)31(41-32(40-29)43-18-2-1-17-42)39-20-21-3-10-25(11-4-21)33(36,37)38/h3-16,19,30,42H,1-2,17-18,20H2,(H,39,40,41)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 19n/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