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BDBM50156100 CHEMBL3780550

SMILES: CCCCCn1c2ccc(cc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C

InChI Key: InChIKey=COPNRAOMEDCZJZ-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 = 50156100   
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))
BDBM50156100
PNG
(CHEMBL3780550)
Show SMILES CCCCCn1c2ccc(cc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-25-8-7-22(18(2)3)13-23(25)14-24(27(30)32)26(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h7-8,13-14,18-21H,4-6,9-12,15-17H2,1-3H3,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
0.260n/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))
BDBM50156100
PNG
(CHEMBL3780550)
Show SMILES CCCCCn1c2ccc(cc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-25-8-7-22(18(2)3)13-23(25)14-24(27(30)32)26(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h7-8,13-14,18-21H,4-6,9-12,15-17H2,1-3H3,(H,29,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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 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