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BDBM50225157 CHEMBL398446::N-cyclohexyl-7-methoxy-1-(2-morpholinoethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

SMILES: COc1ccc2c(c1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O

InChI Key: InChIKey=TXZJFGWULOAGLG-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 = 50225157   
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))
BDBM50225157
PNG
(CHEMBL398446 | N-cyclohexyl-7-methoxy-1-(2-morphol...)
Show SMILES COc1ccc2c(c1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H31N3O4/c1-29-18-7-8-19-21(15-18)26(10-9-25-11-13-30-14-12-25)16-20(22(19)27)23(28)24-17-5-3-2-4-6-17/h7-8,15-17H,2-6,9-14H2,1H3,(H,24,28)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
79n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50225157
PNG
(CHEMBL398446 | N-cyclohexyl-7-methoxy-1-(2-morphol...)
Show SMILES COc1ccc2c(c1)n(CCN1CCOCC1)cc(C(=O)NC1CCCCC1)c2=O
Show InChI InChI=1S/C23H31N3O4/c1-29-18-7-8-19-21(15-18)26(10-9-25-11-13-30-14-12-25)16-20(22(19)27)23(28)24-17-5-3-2-4-6-17/h7-8,15-17H,2-6,9-14H2,1H3,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.92E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6505-10 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.089
BindingDB Entry DOI: 10.7270/Q2S75H5H
More data for this
Ligand-Target Pair