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BDBM21253 1-(4-chlorophenyl)-3-methyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide::Pyrazole-4-carboxamide analogue, 20

SMILES: Cc1nn(c(c1C(=O)NN1CCCCC1)-n1cccc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=CVSFQMUELAWQBC-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21253   
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 1


(Homo sapiens (Human))
BDBM21253
PNG
(1-(4-chlorophenyl)-3-methyl-N-(piperidin-1-yl)-5-(...)
Show SMILES Cc1nn(c(c1C(=O)NN1CCCCC1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)20(24-11-5-6-12-24)26(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3,(H,23,27)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.82E+3>-7.69n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
BindingDB Entry DOI: 10.7270/Q2GX48V9
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21253
PNG
(1-(4-chlorophenyl)-3-methyl-N-(piperidin-1-yl)-5-(...)
Show SMILES Cc1nn(c(c1C(=O)NN1CCCCC1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)20(24-11-5-6-12-24)26(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3,(H,23,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
BindingDB Entry DOI: 10.7270/Q2GX48V9
More data for this
Ligand-Target Pair