BindingDB logo
myBDB logout

BDBM21252 1-(4-chlorophenyl)-4-cyano-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide::Pyrazole-3-carboxamide analogue, 19

SMILES: Clc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-n1cccc1

InChI Key: InChIKey=QBWAJZHPSIDRDI-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 = 21252   
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))
BDBM21252
PNG
(1-(4-chlorophenyl)-4-cyano-N-(piperidin-1-yl)-5-(1...)
Show SMILES Clc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-n1cccc1
Show InChI InChI=1S/C20H19ClN6O/c21-15-6-8-16(9-7-15)27-20(25-10-4-5-11-25)17(14-22)18(23-27)19(28)24-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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))
BDBM21252
PNG
(1-(4-chlorophenyl)-4-cyano-N-(piperidin-1-yl)-5-(1...)
Show SMILES Clc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-n1cccc1
Show InChI InChI=1S/C20H19ClN6O/c21-15-6-8-16(9-7-15)27-20(25-10-4-5-11-25)17(14-22)18(23-27)19(28)24-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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