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BDBM50534091 CHEMBL4525460

SMILES: Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC[C@@H]1CCC2CC1C2(C)C

InChI Key: InChIKey=GDRJSGSTUAROPF-YMISUZCDSA-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 = 50534091   
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))
BDBM50534091
PNG
(CHEMBL4525460)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC[C@@H]1CCC2CC1C2(C)C |r,THB:23:24:30:28|
Show InChI InChI=1S/C28H30N4O/c1-17-6-8-18(9-7-17)25-14-23-21(5-4-12-29-23)26-15-24(31-32(25)26)27(33)30-16-19-10-11-20-13-22(19)28(20,2)3/h4-9,12,14-15,19-20,22H,10-11,13,16H2,1-3H3,(H,30,33)/t19-,20?,22?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50534091
PNG
(CHEMBL4525460)
Show SMILES Cc1ccc(cc1)-c1cc2ncccc2c2cc(nn12)C(=O)NC[C@@H]1CCC2CC1C2(C)C |r,THB:23:24:30:28|
Show InChI InChI=1S/C28H30N4O/c1-17-6-8-18(9-7-17)25-14-23-21(5-4-12-29-23)26-15-24(31-32(25)26)27(33)30-16-19-10-11-20-13-22(19)28(20,2)3/h4-9,12,14-15,19-20,22H,10-11,13,16H2,1-3H3,(H,30,33)/t19-,20?,22?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting method


Bioorg Med Chem 24: 5291-5301 (2016)


Article DOI: 10.1016/j.bmc.2016.08.055
More data for this
Ligand-Target Pair