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BDBM50350159 CHEMBL1814466

SMILES: CCCCCn1c2ccc(Br)cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O

InChI Key: InChIKey=SOFQKCHTAUYIHC-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 = 50350159   
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))
BDBM50350159
PNG
(CHEMBL1814466)
Show SMILES CCCCCn1c2ccc(Br)cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |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/C25H31BrN2O3/c1-2-3-4-7-28-20-6-5-18(26)11-19(20)22(29)21(24(28)31)23(30)27-25-12-15-8-16(13-25)10-17(9-15)14-25/h5-6,11,15-17,29H,2-4,7-10,12-14H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29.4n/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 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))
BDBM50350159
PNG
(CHEMBL1814466)
Show SMILES CCCCCn1c2ccc(Br)cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |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/C25H31BrN2O3/c1-2-3-4-7-28-20-6-5-18(26)11-19(20)22(29)21(24(28)31)23(30)27-25-12-15-8-16(13-25)10-17(9-15)14-25/h5-6,11,15-17,29H,2-4,7-10,12-14H2,1H3,(H,27,30)
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