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BDBM50325585 CHEMBL1223715::naphthalen-1-yl(3-pentyl-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone

SMILES: CCCCCC1=NN(CC1c1ccccc1)C(=O)c1cccc2ccccc12

InChI Key: InChIKey=PTPBPHTVPYIIMD-UHFFFAOYSA-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 = 50325585   
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))
BDBM50325585
PNG
(CHEMBL1223715 | naphthalen-1-yl(3-pentyl-4-phenyl-...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)c1cccc2ccccc12 |t:5|
Show InChI InChI=1S/C25H26N2O/c1-2-3-5-17-24-23(20-11-6-4-7-12-20)18-27(26-24)25(28)22-16-10-14-19-13-8-9-15-21(19)22/h4,6-16,23H,2-3,5,17-18H2,1H3
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PC cid
PC sid
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Article
PubMed
103n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325585
PNG
(CHEMBL1223715 | naphthalen-1-yl(3-pentyl-4-phenyl-...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)c1cccc2ccccc12 |t:5|
Show InChI InChI=1S/C25H26N2O/c1-2-3-5-17-24-23(20-11-6-4-7-12-20)18-27(26-24)25(28)22-16-10-14-19-13-8-9-15-21(19)22/h4,6-16,23H,2-3,5,17-18H2,1H3
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
164n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair