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BDBM80856 4-[(2,5-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]benzamide::4-[(2,5-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)pyrazol-4-yl]benzamide::4-[(2,5-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]benzamide::4-[(2,5-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]benzamide::4-[[2,5-bis(chloranyl)phenoxy]methyl]-N-[3,5-dimethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]pyrazol-4-yl]benzamide::MLS000544567::SMR000160041::cid_5075159

SMILES: Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1

InChI Key: InChIKey=RKPCKKVZIFKDTO-UHFFFAOYSA-N

Data: 2 IC50

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 = 80856   
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
Phospholipase A2


(Homo sapiens (Human))
BDBM80856
PNG
(4-[(2,5-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-...)
Show SMILES Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C26H18Cl2F5N3O2/c1-12-25(13(2)36(35-12)10-17-20(29)22(31)24(33)23(32)21(17)30)34-26(37)15-5-3-14(4-6-15)11-38-19-9-16(27)7-8-18(19)28/h3-9H,10-11H2,1-2H3,(H,34,37)
PDB
MMDB

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n/an/a 270n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM80856
PNG
(4-[(2,5-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-...)
Show SMILES Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C26H18Cl2F5N3O2/c1-12-25(13(2)36(35-12)10-17-20(29)22(31)24(33)23(32)21(17)30)34-26(37)15-5-3-14(4-6-15)11-38-19-9-16(27)7-8-18(19)28/h3-9H,10-11H2,1-2H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 532n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair