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BDBM94957 (5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(piperonylamino)methylene]barbituric acid::(5Z)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione::5-[1-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-meth-(Z)-ylidene]-1-[2-(4-fluoro-phenyl)-ethyl]-pyrimidine-2,4, 6-trione::MLS000557507::SMR000148423::cid_5516744

SMILES: Fc1ccc(CCN2C(=O)NC(=O)C(=CNCc3ccc4OCOc4c3)C2=O)cc1

InChI Key: InChIKey=VMQCDHZIZSZRRG-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 = 94957   
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
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94957
PNG
((5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(piperonylamin...)
Show SMILES Fc1ccc(CCN2C(=O)NC(=O)C(=CNCc3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C21H18FN3O5/c22-15-4-1-13(2-5-15)7-8-25-20(27)16(19(26)24-21(25)28)11-23-10-14-3-6-17-18(9-14)30-12-29-17/h1-6,9,11,23H,7-8,10,12H2,(H,24,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM94957
PNG
((5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(piperonylamin...)
Show SMILES Fc1ccc(CCN2C(=O)NC(=O)C(=CNCc3ccc4OCOc4c3)C2=O)cc1
Show InChI InChI=1S/C21H18FN3O5/c22-15-4-1-13(2-5-15)7-8-25-20(27)16(19(26)24-21(25)28)11-23-10-14-3-6-17-18(9-14)30-12-29-17/h1-6,9,11,23H,7-8,10,12H2,(H,24,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.20E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair