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SMILES: COC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=XVKGXSRVWSSDNX-UHFFFAOYSA-N

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 = 143634   
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))
BDBM143634
PNG
(US9682955, 61)
Show SMILES COC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H23Cl2N3O2/c1-37-30(36)22-4-2-19(3-5-22)17-33-29-26-16-23(10-15-27(26)34-18-35-29)28(20-6-11-24(31)12-7-20)21-8-13-25(32)14-9-21/h2-16,18,28H,17H2,1H3,(H,33,34,35)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
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))
BDBM143634
PNG
(US9682955, 61)
Show SMILES COC(=O)c1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H23Cl2N3O2/c1-37-30(36)22-4-2-19(3-5-22)17-33-29-26-16-23(10-15-27(26)34-18-35-29)28(20-6-11-24(31)12-7-20)21-8-13-25(32)14-9-21/h2-16,18,28H,17H2,1H3,(H,33,34,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 20n/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