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SMILES: COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1

InChI Key: InChIKey=WBIBAACEZLKVDU-UHFFFAOYSA-N

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 4 hits for monomerid = 80760   
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
Hexokinase HKDC1 [W721R]


(Homo sapiens (Human))
BDBM80760
PNG
(2-[(4-dimethoxyphosphorylanilino)methyl]benzene-1,...)
Show SMILES COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1
Show InChI InChI=1S/C15H18NO5P/c1-20-22(19,21-2)14-6-3-12(4-7-14)16-10-11-9-13(17)5-8-15(11)18/h3-9,16-18H,10H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.51E+3n/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/Q2W094D4
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM80760
PNG
(2-[(4-dimethoxyphosphorylanilino)methyl]benzene-1,...)
Show SMILES COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1
Show InChI InChI=1S/C15H18NO5P/c1-20-22(19,21-2)14-6-3-12(4-7-14)16-10-11-9-13(17)5-8-15(11)18/h3-9,16-18H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.55E+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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM80760
PNG
(2-[(4-dimethoxyphosphorylanilino)methyl]benzene-1,...)
Show SMILES COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1
Show InChI InChI=1S/C15H18NO5P/c1-20-22(19,21-2)14-6-3-12(4-7-14)16-10-11-9-13(17)5-8-15(11)18/h3-9,16-18H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.56E+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: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Hexokinase HKDC1 [W721R]


(Homo sapiens (Human))
BDBM80760
PNG
(2-[(4-dimethoxyphosphorylanilino)methyl]benzene-1,...)
Show SMILES COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1
Show InChI InChI=1S/C15H18NO5P/c1-20-22(19,21-2)14-6-3-12(4-7-14)16-10-11-9-13(17)5-8-15(11)18/h3-9,16-18H,10H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.62E+4n/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/Q23F4N3R
More data for this
Ligand-Target Pair