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BDBM50116911 CHEMBL3613103

SMILES: Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1

InChI Key: InChIKey=YNUCTIKDGMNEIK-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 = 50116911   
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))
BDBM50116911
PNG
(CHEMBL3613103)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:25:32:29.31.28,30:29:32:24.25.26,THB:28:27:24:30.29.31,28:29:24:32.26.27|
Show InChI InChI=1S/C31H35ClN2O/c1-20-3-5-22(6-4-20)17-34-18-27(13-29(34)26-7-8-28(32)21(2)9-26)30(35)33-19-31-14-23-10-24(15-31)12-25(11-23)16-31/h3-9,13,18,23-25H,10-12,14-17,19H2,1-2H3,(H,33,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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))
BDBM50116911
PNG
(CHEMBL3613103)
Show SMILES Cc1ccc(Cn2cc(cc2-c2ccc(Cl)c(C)c2)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:25:32:29.31.28,30:29:32:24.25.26,THB:28:27:24:30.29.31,28:29:24:32.26.27|
Show InChI InChI=1S/C31H35ClN2O/c1-20-3-5-22(6-4-20)17-34-18-27(13-29(34)26-7-8-28(32)21(2)9-26)30(35)33-19-31-14-23-10-24(15-31)12-25(11-23)16-31/h3-9,13,18,23-25H,10-12,14-17,19H2,1-2H3,(H,33,35)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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