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BDBM21275 N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrrol-1-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxamide::Pyrazole-3-carboxamide analogue, 42

SMILES: Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=DZZPFYHXNFYVEC-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21275   
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))
BDBM21275
PNG
(N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrr...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.81,6.38,;6.35,6.46,;7.05,7.83,;8.58,7.92,;6.21,9.12,;6.9,10.5,;4.67,9.04,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-19(21(32)28-11-13-4-5-15(24)16(25)8-13)29-31(22(12)30-6-2-3-7-30)20-17(26)9-14(23)10-18(20)27/h2-10H,11H2,1H3,(H,28,32)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
280n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21275
PNG
(N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrr...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.81,6.38,;6.35,6.46,;7.05,7.83,;8.58,7.92,;6.21,9.12,;6.9,10.5,;4.67,9.04,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-19(21(32)28-11-13-4-5-15(24)16(25)8-13)29-31(22(12)30-6-2-3-7-30)20-17(26)9-14(23)10-18(20)27/h2-10H,11H2,1H3,(H,28,32)
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