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BDBM50350157 CHEMBL1814464

SMILES: CCCCc1nc2ccc(Br)cc2c(O)c1C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=BTYHENBPEHZKQH-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 = 50350157   
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))
BDBM50350157
PNG
(CHEMBL1814464)
Show SMILES CCCCc1nc2ccc(Br)cc2c(O)c1C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C24H29BrN2O2/c1-2-3-4-20-21(22(28)18-10-17(25)5-6-19(18)26-20)23(29)27-24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16H,2-4,7-9,11-13H2,1H3,(H,26,28)(H,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.18E+3n/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))
BDBM50350157
PNG
(CHEMBL1814464)
Show SMILES CCCCc1nc2ccc(Br)cc2c(O)c1C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19|
Show InChI InChI=1S/C24H29BrN2O2/c1-2-3-4-20-21(22(28)18-10-17(25)5-6-19(18)26-20)23(29)27-24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16H,2-4,7-9,11-13H2,1H3,(H,26,28)(H,27,29)
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