new BindingDB logo
myBDB logout

BDBM50156095 CHEMBL3781896

SMILES: CCCCCn1c2cc(F)c(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C

InChI Key: InChIKey=BGGQKGCORMACNA-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 = 50156095   
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))
BDBM50156095
PNG
(CHEMBL3781896)
Show SMILES CCCCCn1c2cc(F)c(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C28H37FN2O3/c1-4-5-6-7-31-23-12-22(29)20(16(2)3)11-21(23)25(32)24(27(31)34)26(33)30-28-13-17-8-18(14-28)10-19(9-17)15-28/h11-12,16-19,32H,4-10,13-15H2,1-3H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
66n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156095
PNG
(CHEMBL3781896)
Show SMILES CCCCCn1c2cc(F)c(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C28H37FN2O3/c1-4-5-6-7-31-23-12-22(29)20(16(2)3)11-21(23)25(32)24(27(31)34)26(33)30-28-13-17-8-18(14-28)10-19(9-17)15-28/h11-12,16-19,32H,4-10,13-15H2,1-3H3,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair