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BDBM75745 2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quinone::2-(3-hydroxy-4-methoxybenzylidene)-1H-indene-1,3(2H)-dione::2-[(3-hydroxy-4-methoxyphenyl)methylidene]indene-1,3-dione::2-[(4-methoxy-3-oxidanyl-phenyl)methylidene]indene-1,3-dione::MLS000689989::SMR000298709::cid_2910846

SMILES: [#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1-[#8]

InChI Key: InChIKey=FKPKGGGAKSMQEJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 75745   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
PDB
MMDB

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n/an/a 1.27E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2RV0M5R
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
PDB

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n/an/a 1.50E+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 (2010)


BindingDB Entry DOI: 10.7270/Q25Q4TJ1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
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n/an/a 1.56E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2154FH8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
PDB
MMDB

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n/an/a 1.47E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2W957N3
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75745
PNG
(2-(3-hydroxy-4-methoxy-benzylidene)indane-1,3-quin...)
Show SMILES COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C17H12O4/c1-21-15-7-6-10(9-14(15)18)8-13-16(19)11-4-2-3-5-12(11)17(13)20/h2-9,18H,1H3
Reactome pathway
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PCBioAssay
n/an/a 1.56E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D798W4
More data for this
Ligand-Target Pair