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BDBM50258607 CHEMBL467680::trans-N-(4-Methylcyclohexyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide

SMILES: C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O

InChI Key: InChIKey=VBFDXISBVLMYKY-RUCARUNLSA-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 = 50258607   
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))
BDBM50258607
PNG
(CHEMBL467680 | trans-N-(4-Methylcyclohexyl)-1-benz...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O |r,wU:4.7,wD:1.0,(31.87,-31.58,;30.54,-32.34,;29.2,-31.57,;27.86,-32.35,;27.87,-33.87,;29.21,-34.65,;30.53,-33.89,;26.53,-34.65,;25.2,-33.88,;25.19,-32.34,;23.87,-34.66,;22.52,-33.88,;21.18,-34.67,;19.85,-33.9,;18.52,-34.67,;18.51,-36.22,;19.85,-36.99,;21.19,-36.22,;22.53,-36.99,;22.53,-38.53,;23.87,-39.29,;23.87,-40.82,;25.2,-41.59,;26.53,-40.81,;26.52,-39.28,;25.2,-38.52,;23.87,-36.21,;25.21,-36.98,)|
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19-
PDB

Reactome pathway
KEGG

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UniProtKB/TrEMBL

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39.8n/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))
BDBM50258607
PNG
(CHEMBL467680 | trans-N-(4-Methylcyclohexyl)-1-benz...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O |r,wU:4.7,wD:1.0,(31.87,-31.58,;30.54,-32.34,;29.2,-31.57,;27.86,-32.35,;27.87,-33.87,;29.21,-34.65,;30.53,-33.89,;26.53,-34.65,;25.2,-33.88,;25.19,-32.34,;23.87,-34.66,;22.52,-33.88,;21.18,-34.67,;19.85,-33.9,;18.52,-34.67,;18.51,-36.22,;19.85,-36.99,;21.19,-36.22,;22.53,-36.99,;22.53,-38.53,;23.87,-39.29,;23.87,-40.82,;25.2,-41.59,;26.53,-40.81,;26.52,-39.28,;25.2,-38.52,;23.87,-36.21,;25.21,-36.98,)|
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.26E+3n/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