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BDBM50224051 ((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide::(+)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide::(-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide::CHEMBL237010

SMILES: CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12

InChI Key: InChIKey=OYXNQWCRVZYCTK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50224051   
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))
BDBM50224051
PNG
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32)
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Article
PubMed
26.1n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224051
PNG
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32)
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Article
PubMed
41.1n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50224051
PNG
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)
Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
265n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human CB2 receptor expressed in CHO cells


J Med Chem 50: 5471-84 (2007)


Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7
More data for this
Ligand-Target Pair