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BDBM143638 US9682955, 65

SMILES: Fc1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=RTVKXMUOVFBDMX-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 = 143638   
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))
BDBM143638
PNG
(US9682955, 65)
Show SMILES Fc1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H20Cl2FN3/c29-22-8-3-19(4-9-22)27(20-5-10-23(30)11-6-20)21-7-14-26-25(15-21)28(34-17-33-26)32-16-18-1-12-24(31)13-2-18/h1-15,17,27H,16H2,(H,32,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.94E+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))
BDBM143638
PNG
(US9682955, 65)
Show SMILES Fc1ccc(CNc2ncnc3ccc(cc23)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H20Cl2FN3/c29-22-8-3-19(4-9-22)27(20-5-10-23(30)11-6-20)21-7-14-26-25(15-21)28(34-17-33-26)32-16-18-1-12-24(31)13-2-18/h1-15,17,27H,16H2,(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 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