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BDBM50176424 CHEMBL201388::N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-isobutyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide

SMILES: CC(C)Cn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=JBQWPLWSNHELFT-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176424   
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))
BDBM50176424
PNG
(CHEMBL201388 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(C)Cn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36)
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Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176424
PNG
(CHEMBL201388 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(C)Cn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM
More data for this
Ligand-Target Pair