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BDBM21254 1-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide::Pyrazole-4-carboxamide analogue, 21

SMILES: Cc1nn(c(c1C(=O)NCc1ccc(Cl)c(Cl)c1)-n1cccc1)-c1ccc(Cl)cc1

InChI Key: InChIKey=FSDRQNSFQHSTFS-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21254   
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))
BDBM21254
PNG
(1-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-...)
Show SMILES Cc1nn(c(c1C(=O)NCc1ccc(Cl)c(Cl)c1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17Cl3N4O/c1-14-20(21(30)26-13-15-4-9-18(24)19(25)12-15)22(28-10-2-3-11-28)29(27-14)17-7-5-16(23)6-8-17/h2-12H,13H2,1H3,(H,26,30)
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))
BDBM21254
PNG
(1-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-...)
Show SMILES Cc1nn(c(c1C(=O)NCc1ccc(Cl)c(Cl)c1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17Cl3N4O/c1-14-20(21(30)26-13-15-4-9-18(24)19(25)12-15)22(28-10-2-3-11-28)29(27-14)17-7-5-16(23)6-8-17/h2-12H,13H2,1H3,(H,26,30)
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