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BDBM50392573 CHEMBL2152824

SMILES: CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc12

InChI Key: InChIKey=MNDIRIBQUNTRFA-QFIPXVFZSA-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 = 50392573   
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))
BDBM50392573
PNG
(CHEMBL2152824)
Show SMILES CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C26H29N3O3S/c1-2-3-7-14-28-17-21(26(32)29-15-8-11-22(29)25(27)31)24(30)20-13-12-19(16-23(20)28)33-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17,22H,2-3,7-8,11,14-15H2,1H3,(H2,27,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/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 transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392573
PNG
(CHEMBL2152824)
Show SMILES CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C26H29N3O3S/c1-2-3-7-14-28-17-21(26(32)29-15-8-11-22(29)25(27)31)24(30)20-13-12-19(16-23(20)28)33-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17,22H,2-3,7-8,11,14-15H2,1H3,(H2,27,31)/t22-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.49E+3n/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 transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair