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BDBM50334592 CHEMBL1641958::N3-(1-Adamantyl)-6-(4-methoxyphenyl)-1-pentyl-4-oxo-1,4-dihydropyridine-3-carboxamide

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1

InChI Key: InChIKey=NYYRZAYJDIGPRI-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50334592   
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))
BDBM50334592
PNG
(CHEMBL1641958 | N3-(1-Adamantyl)-6-(4-methoxypheny...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C28H36N2O3/c1-3-4-5-10-30-18-24(26(31)14-25(30)22-6-8-23(33-2)9-7-22)27(32)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h6-9,14,18-21H,3-5,10-13,15-17H2,1-2H3,(H,29,32)
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Similars

Article
PubMed
91.1n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50334592
PNG
(CHEMBL1641958 | N3-(1-Adamantyl)-6-(4-methoxypheny...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(OC)cc1 |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C28H36N2O3/c1-3-4-5-10-30-18-24(26(31)14-25(30)22-6-8-23(33-2)9-7-22)27(32)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h6-9,14,18-21H,3-5,10-13,15-17H2,1-2H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
384n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair