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BDBM143562 US9682955, 59

SMILES: OC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1

InChI Key: InChIKey=PPBDGZPSEPVWKC-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 = 143562   
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))
BDBM143562
PNG
(US9682955, 59)
Show SMILES OC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H21Cl2N3O2/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)28(34-17-33-26)32-16-18-2-1-3-22(14-18)29(35)36/h1-15,17,27H,16H2,(H,35,36)(H,32,33,34)
PDB

Reactome pathway
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))
BDBM143562
PNG
(US9682955, 59)
Show SMILES OC(=O)c1cccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H21Cl2N3O2/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)28(34-17-33-26)32-16-18-2-1-3-22(14-18)29(35)36/h1-15,17,27H,16H2,(H,35,36)(H,32,33,34)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4.43E+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