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BDBM50258654 CHEMBL466047::cis-N-(4-Methylcyclohexyl)-1-(p-fluorobenzyl)-1,8-naphthyridin-2(1H)-on-3-carboxamide

SMILES: C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O

InChI Key: InChIKey=IIYIIIMKUDAFCY-GLRZTSSQSA-N

Data: 2 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 2 hits for monomerid = 50258654   
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))
BDBM50258654
PNG
(CHEMBL466047 | cis-N-(4-Methylcyclohexyl)-1-(p-flu...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |r,wD:4.7,1.0,(32.36,5.84,;31.02,5.07,;29.69,5.84,;28.35,5.07,;28.35,3.54,;29.69,2.76,;31.02,3.53,;27.02,2.76,;25.69,3.53,;25.68,5.07,;24.36,2.76,;23,3.53,;21.67,2.74,;20.33,3.51,;19,2.74,;19,1.19,;20.34,.42,;21.68,1.19,;23.02,.42,;23.02,-1.12,;24.36,-1.88,;24.36,-3.41,;25.69,-4.17,;27.02,-3.4,;28.36,-4.16,;27.01,-1.87,;25.69,-1.11,;24.36,1.2,;25.7,.43,)|
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50258654
PNG
(CHEMBL466047 | cis-N-(4-Methylcyclohexyl)-1-(p-flu...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |r,wD:4.7,1.0,(32.36,5.84,;31.02,5.07,;29.69,5.84,;28.35,5.07,;28.35,3.54,;29.69,2.76,;31.02,3.53,;27.02,2.76,;25.69,3.53,;25.68,5.07,;24.36,2.76,;23,3.53,;21.67,2.74,;20.33,3.51,;19,2.74,;19,1.19,;20.34,.42,;21.68,1.19,;23.02,.42,;23.02,-1.12,;24.36,-1.88,;24.36,-3.41,;25.69,-4.17,;27.02,-3.4,;28.36,-4.16,;27.01,-1.87,;25.69,-1.11,;24.36,1.2,;25.7,.43,)|
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


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


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair