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BDBM50350164 CHEMBL1814471

SMILES: Oc1c(cnc2c(cccc12)-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=KLLYZIMCEWAWBM-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 = 50350164   
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))
BDBM50350164
PNG
(CHEMBL1814471)
Show SMILES Oc1c(cnc2c(cccc12)-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C26H26N2O2/c29-24-21-8-4-7-20(19-5-2-1-3-6-19)23(21)27-15-22(24)25(30)28-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18H,9-14H2,(H,27,29)(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350164
PNG
(CHEMBL1814471)
Show SMILES Oc1c(cnc2c(cccc12)-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20|
Show InChI InChI=1S/C26H26N2O2/c29-24-21-8-4-7-20(19-5-2-1-3-6-19)23(21)27-15-22(24)25(30)28-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18H,9-14H2,(H,27,29)(H,28,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair