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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 354.3
BDBM76186

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Intestinal-type alkaline phosphatase 1


(Rattus norvegicus (Rat))
BDBM76186
PNG
(6-ketobenzo[c]chromene-3,8-disulfonamide | 6-oxida...)
Show SMILES NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
Show InChI InChI=1S/C13H10N2O6S2/c14-22(17,18)7-1-3-9-10-4-2-8(23(15,19)20)6-12(10)21-13(16)11(9)5-7/h1-6H,(H2,14,17,18)(H2,15,19,20)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.51E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))
BDBM76186
PNG
(6-ketobenzo[c]chromene-3,8-disulfonamide | 6-oxida...)
Show SMILES NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
Show InChI InChI=1S/C13H10N2O6S2/c14-22(17,18)7-1-3-9-10-4-2-8(23(15,19)20)6-12(10)21-13(16)11(9)5-7/h1-6H,(H2,14,17,18)(H2,15,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.73E+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, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76186
PNG
(6-ketobenzo[c]chromene-3,8-disulfonamide | 6-oxida...)
Show SMILES NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
Show InChI InChI=1S/C13H10N2O6S2/c14-22(17,18)7-1-3-9-10-4-2-8(23(15,19)20)6-12(10)21-13(16)11(9)5-7/h1-6H,(H2,14,17,18)(H2,15,19,20)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.18E+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/Q2H130G1
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM76186
PNG
(6-ketobenzo[c]chromene-3,8-disulfonamide | 6-oxida...)
Show SMILES NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
Show InChI InChI=1S/C13H10N2O6S2/c14-22(17,18)7-1-3-9-10-4-2-8(23(15,19)20)6-12(10)21-13(16)11(9)5-7/h1-6H,(H2,14,17,18)(H2,15,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/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/Q2NS0SCW
More data for this
Ligand-Target Pair