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BDBM50156093 CHEMBL3781965

SMILES: CC(C)c1cc2c(cc1F)n(CCN(C)C)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O

InChI Key: InChIKey=NHTUEHUHBYQRRF-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 = 50156093   
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))
BDBM50156093
PNG
(CHEMBL3781965)
Show SMILES CC(C)c1cc2c(cc1F)n(CCN(C)C)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:28:27:30:24.23.22,28:23:30:27.29.26,THB:26:27:24.25.30:22,26:25:22:27.29.28|
Show InChI InChI=1S/C27H36FN3O2/c1-16(2)20-10-21-24(11-23(20)28)31(6-5-30(3)4)15-22(25(21)32)26(33)29-27-12-17-7-18(13-27)9-19(8-17)14-27/h10-11,15-19H,5-9,12-14H2,1-4H3,(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
11n/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))
BDBM50156093
PNG
(CHEMBL3781965)
Show SMILES CC(C)c1cc2c(cc1F)n(CCN(C)C)cc(C(=O)NC13CC4CC(CC(C4)C1)C3)c2=O |TLB:28:27:30:24.23.22,28:23:30:27.29.26,THB:26:27:24.25.30:22,26:25:22:27.29.28|
Show InChI InChI=1S/C27H36FN3O2/c1-16(2)20-10-21-24(11-23(20)28)31(6-5-30(3)4)15-22(25(21)32)26(33)29-27-12-17-7-18(13-27)9-19(8-17)14-27/h10-11,15-19H,5-9,12-14H2,1-4H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
717n/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