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BDBM40951 2-[2-[[2-methoxyethyl-(phenylmethyl)amino]-oxidanyl-phosphoryl]phenoxy]ethanoic acid::2-[2-[[benzyl(2-methoxyethyl)amino]-hydroxy-phosphoryl]phenoxy]acetic acid::2-[2-[[benzyl(2-methoxyethyl)amino]-hydroxyphosphoryl]phenoxy]acetic acid::2-[2-[hydroxy-[2-methoxyethyl-(phenylmethyl)amino]phosphoryl]phenoxy]acetic acid::MLS000069274::SMR000040669::cid_659647

SMILES: COCCN(Cc1ccccc1)P(O)(=O)c1ccccc1OCC(O)=O

InChI Key: InChIKey=ITPYSVOUZUITQB-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 = 40951   
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
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM40951
PNG
(2-[2-[[2-methoxyethyl-(phenylmethyl)amino]-oxidany...)
Show SMILES COCCN(Cc1ccccc1)P(O)(=O)c1ccccc1OCC(O)=O
Show InChI InChI=1S/C18H22NO6P/c1-24-12-11-19(13-15-7-3-2-4-8-15)26(22,23)17-10-6-5-9-16(17)25-14-18(20)21/h2-10H,11-14H2,1H3,(H,20,21)(H,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.64E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM40951
PNG
(2-[2-[[2-methoxyethyl-(phenylmethyl)amino]-oxidany...)
Show SMILES COCCN(Cc1ccccc1)P(O)(=O)c1ccccc1OCC(O)=O
Show InChI InChI=1S/C18H22NO6P/c1-24-12-11-19(13-15-7-3-2-4-8-15)26(22,23)17-10-6-5-9-16(17)25-14-18(20)21/h2-10H,11-14H2,1H3,(H,20,21)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair