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BDBM64788 4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-nitrophenyl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one::5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one::5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one::MLS000592130::SMR000218378::cid_2251550

SMILES: Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=KFOMNSILEPOUOI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 64788   
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
PPP5C protein


(Homo sapiens (Human))
BDBM64788
PNG
(4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H23N5O4/c1-17-23(26(33)30(28-17)20-9-5-3-6-10-20)25(19-13-15-22(16-14-19)32(35)36)24-18(2)29-31(27(24)34)21-11-7-4-8-12-21/h3-16,25,28-29H,1-2H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3


(Homo sapiens (Human))
BDBM64788
PNG
(4-[(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(4-...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H23N5O4/c1-17-23(26(33)30(28-17)20-9-5-3-6-10-20)25(19-13-15-22(16-14-19)32(35)36)24-18(2)29-31(27(24)34)21-11-7-4-8-12-21/h3-16,25,28-29H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair