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BDBM50381884 CHEMBL2022365

SMILES: Oc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2)c2ncccc12

InChI Key: InChIKey=ZIGXYXLJFMRIJW-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 = 50381884   
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))
BDBM50381884
PNG
(CHEMBL2022365)
Show SMILES Oc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2)c2ncccc12
Show InChI InChI=1S/C22H23N3O3/c26-19-17-12-7-13-23-20(17)25(14-15-8-3-1-4-9-15)22(28)18(19)21(27)24-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,26H,2,5-6,10-11,14H2,(H,24,27)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50381884
PNG
(CHEMBL2022365)
Show SMILES Oc1c(C(=O)NC2CCCCC2)c(=O)n(Cc2ccccc2)c2ncccc12
Show InChI InChI=1S/C22H23N3O3/c26-19-17-12-7-13-23-20(17)25(14-15-8-3-1-4-9-15)22(28)18(19)21(27)24-16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16,26H,2,5-6,10-11,14H2,(H,24,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
560n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins


Eur J Med Chem 52: 284-94 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.031
BindingDB Entry DOI: 10.7270/Q2PK0H6K
More data for this
Ligand-Target Pair