BindingDB logo
myBDB logout

BDBM50325595 3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxylic acid(adamantan-1-ylmethyl)-amide::CHEMBL1224687

SMILES: CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=HZURZTBRYXBYIM-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 = 50325595   
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))
BDBM50325595
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |t:5,THB:19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C26H37N3O/c1-2-3-5-10-24-23(22-8-6-4-7-9-22)17-29(28-24)25(30)27-18-26-14-19-11-20(15-26)13-21(12-19)16-26/h4,6-9,19-21,23H,2-3,5,10-18H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/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))
BDBM50325595
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |t:5,THB:19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C26H37N3O/c1-2-3-5-10-24-23(22-8-6-4-7-9-22)17-29(28-24)25(30)27-18-26-14-19-11-20(15-26)13-21(12-19)16-26/h4,6-9,19-21,23H,2-3,5,10-18H2,1H3,(H,27,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
16.1n/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