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BDBM50156094 CHEMBL3782042

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)c(F)cc12

InChI Key: InChIKey=ZWGMVYVUAFOXFX-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 = 50156094   
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))
BDBM50156094
PNG
(CHEMBL3782042)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)c(F)cc12 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:14.15.20:12,16:15:12:17.19.18|
Show InChI InChI=1S/C28H37FN2O2/c1-4-5-6-7-31-16-23(26(32)22-11-21(17(2)3)24(29)12-25(22)31)27(33)30-28-13-18-8-19(14-28)10-20(9-18)15-28/h11-12,16-20H,4-10,13-15H2,1-3H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.5n/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))
BDBM50156094
PNG
(CHEMBL3782042)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(C)C)c(F)cc12 |TLB:18:17:20:14.13.12,18:13:20:17.19.16,THB:16:17:14.15.20:12,16:15:12:17.19.18|
Show InChI InChI=1S/C28H37FN2O2/c1-4-5-6-7-31-16-23(26(32)22-11-21(17(2)3)24(29)12-25(22)31)27(33)30-28-13-18-8-19(14-28)10-20(9-18)15-28/h11-12,16-20H,4-10,13-15H2,1-3H3,(H,30,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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