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BDBM50334574 CHEMBL1641952::N3-(1-Adamantyl)-6-(4-chlorophenyl)-1-pentyl-4-oxo-1,4-dihydropyridine-3-carboxamide

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

InChI Key: InChIKey=UMFFBPYHXHNTFM-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50334574   
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))
BDBM50334574
PNG
(CHEMBL1641952 | N3-(1-Adamantyl)-6-(4-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(Cl)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/C27H33ClN2O2/c1-2-3-4-9-30-17-23(25(31)13-24(30)21-5-7-22(28)8-6-21)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,29,32)
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Article
PubMed
79n/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))
BDBM50334574
PNG
(CHEMBL1641952 | N3-(1-Adamantyl)-6-(4-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(Cl)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/C27H33ClN2O2/c1-2-3-4-9-30-17-23(25(31)13-24(30)21-5-7-22(28)8-6-21)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,29,32)
PDB

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Article
PubMed
>1.00E+3n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334574
PNG
(CHEMBL1641952 | N3-(1-Adamantyl)-6-(4-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccc(Cl)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/C27H33ClN2O2/c1-2-3-4-9-30-17-23(25(31)13-24(30)21-5-7-22(28)8-6-21)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,29,32)
PDB

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UniProtKB/TrEMBL

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PC sid
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Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


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