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BDBM70614 2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one::2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one::2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl](3-hydroxyphenyl)methyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one::2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]-(3-hydroxyphenyl)methyl]-5-methyl-2-pyrazolin-3-one::MLS000539675::SMR000161977::cid_3252210

SMILES: Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc(O)c1

InChI Key: InChIKey=PEQAEWYQSYALHY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 70614   
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
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM70614
PNG
(2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-...)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C31H32N4O3/c1-17-10-12-24(14-19(17)3)34-30(37)27(21(5)32-34)29(23-8-7-9-26(36)16-23)28-22(6)33-35(31(28)38)25-13-11-18(2)20(4)15-25/h7-16,29,32-33,36H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM70614
PNG
(2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-...)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C31H32N4O3/c1-17-10-12-24(14-19(17)3)34-30(37)27(21(5)32-34)29(23-8-7-9-26(36)16-23)28-22(6)33-35(31(28)38)25-13-11-18(2)20(4)15-25/h7-16,29,32-33,36H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM70614
PNG
(2-(3,4-dimethylphenyl)-4-[[1-(3,4-dimethylphenyl)-...)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc(O)c1
Show InChI InChI=1S/C31H32N4O3/c1-17-10-12-24(14-19(17)3)34-30(37)27(21(5)32-34)29(23-8-7-9-26(36)16-23)28-22(6)33-35(31(28)38)25-13-11-18(2)20(4)15-25/h7-16,29,32-33,36H,1-6H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.51E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair