BindingDB logo
myBDB logout

BDBM50543747 CHEMBL4635444

SMILES: CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1

InChI Key: InChIKey=XFWPZNMRLOWXAI-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 = 50543747   
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))
BDBM50543747
PNG
(CHEMBL4635444)
Show SMILES CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C25H40F3NO3/c1-3-4-11-14-21-17-22(31-2)19-23(18-21)32-16-13-10-8-6-5-7-9-12-15-24(30)29-20-25(26,27)28/h17-19H,3-16,20H2,1-2H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK cell membrane


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50543747
PNG
(CHEMBL4635444)
Show SMILES CCCCCc1cc(OC)cc(OCCCCCCCCCCC(=O)NCC(F)(F)F)c1
Show InChI InChI=1S/C25H40F3NO3/c1-3-4-11-14-21-17-22(31-2)19-23(18-21)32-16-13-10-8-6-5-7-9-12-15-24(30)29-20-25(26,27)28/h17-19H,3-16,20H2,1-2H3,(H,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair