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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alkaline phosphatase, tissue-nonspecific isozyme' and Ligand = 'BDBM43790'   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43790
PNG
(4-keto-N-(2-methoxyethyl)-4-[N'-(2-methyl-[1,2,4]t...)
Show SMILES COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C17H21N7O3/c1-11-19-16-12-5-3-4-6-13(12)20-17(24(16)23-11)22-21-15(26)8-7-14(25)18-9-10-27-2/h3-6H,7-10H2,1-2H3,(H,18,25)(H,20,22)(H,21,26)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 8.92E+3n/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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43790
PNG
(4-keto-N-(2-methoxyethyl)-4-[N'-(2-methyl-[1,2,4]t...)
Show SMILES COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C17H21N7O3/c1-11-19-16-12-5-3-4-6-13(12)20-17(24(16)23-11)22-21-15(26)8-7-14(25)18-9-10-27-2/h3-6H,7-10H2,1-2H3,(H,18,25)(H,20,22)(H,21,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 3.78E+4n/an/an/an/a



Sanford-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 (2009)


BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43790
PNG
(4-keto-N-(2-methoxyethyl)-4-[N'-(2-methyl-[1,2,4]t...)
Show SMILES COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
Show InChI InChI=1S/C17H21N7O3/c1-11-19-16-12-5-3-4-6-13(12)20-17(24(16)23-11)22-21-15(26)8-7-14(25)18-9-10-27-2/h3-6H,7-10H2,1-2H3,(H,18,25)(H,20,22)(H,21,26)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 3.89E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair