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BDBM50156025 CHEMBL3781216

SMILES: CC(C)c1ccc2n(CCN(C)C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1

InChI Key: InChIKey=XTQMJLVUSHJRJB-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 = 50156025   
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))
BDBM50156025
PNG
(CHEMBL3781216)
Show SMILES CC(C)c1ccc2n(CCN(C)C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C27H37N3O2/c1-17(2)21-5-6-24-22(12-21)25(31)23(16-30(24)8-7-29(3)4)26(32)28-27-13-18-9-19(14-27)11-20(10-18)15-27/h5-6,12,16-20H,7-11,13-15H2,1-4H3,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
146n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50156025
PNG
(CHEMBL3781216)
Show SMILES CC(C)c1ccc2n(CCN(C)C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C27H37N3O2/c1-17(2)21-5-6-24-22(12-21)25(31)23(16-30(24)8-7-29(3)4)26(32)28-27-13-18-9-19(14-27)11-20(10-18)15-27/h5-6,12,16-20H,7-11,13-15H2,1-4H3,(H,28,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair