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BDBM50116969 CHEMBL3613107

SMILES: Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2CCCCC2)cc1

InChI Key: InChIKey=COBKXVUAUIDLMI-UHFFFAOYSA-N

Data: 2 KI

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 = 50116969   
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))
BDBM50116969
PNG
(CHEMBL3613107)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C26H29ClN2O/c1-18-8-10-20(11-9-18)16-29-17-22(26(30)28-23-6-4-3-5-7-23)15-25(29)21-12-13-24(27)19(2)14-21/h8-15,17,23H,3-7,16H2,1-2H3,(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
244n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)


BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50116969
PNG
(CHEMBL3613107)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C26H29ClN2O/c1-18-8-10-20(11-9-18)16-29-17-22(26(30)28-23-6-4-3-5-7-23)15-25(29)21-12-13-24(27)19(2)14-21/h8-15,17,23H,3-7,16H2,1-2H3,(H,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis


Eur J Med Chem 101: 651-67 (2015)


BindingDB Entry DOI: 10.7270/Q2KP83ZM
More data for this
Ligand-Target Pair