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BDBM143560 US9682955, 58

SMILES: COc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ccccc3)c2c1

InChI Key: InChIKey=VXSBEHYRGFYBNT-UHFFFAOYNA-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 = 143560   
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))
BDBM143560
PNG
(US9682955, 58)
Show SMILES COc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1/C33H31ClN4O/c1-39-29-14-9-24(10-15-29)32(23-7-12-26(34)13-8-23)25-11-16-31-30(21-25)33(36-22-35-31)37-27-17-19-38(20-18-27)28-5-3-2-4-6-28/h2-16,21-22,27,32H,17-20H2,1H3,(H,35,36,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 67n/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))
BDBM143560
PNG
(US9682955, 58)
Show SMILES COc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2ncnc(NC3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1/C33H31ClN4O/c1-39-29-14-9-24(10-15-29)32(23-7-12-26(34)13-8-23)25-11-16-31-30(21-25)33(36-22-35-31)37-27-17-19-38(20-18-27)28-5-3-2-4-6-28/h2-16,21-22,27,32H,17-20H2,1H3,(H,35,36,37)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.5n/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