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PubChem AID 1941

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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)
BDBM50253982
PNG
(CHEMBL461194 | N-(2-hydroxyethyl)-3-(2,3,4-trichlo...)
Show SMILES OCCNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O2/c13-7-2-1-6(10(14)11(7)15)8-5-9(18-17-8)12(20)16-3-4-19/h1-2,5,19H,3-4H2,(H,16,20)(H,17,18)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.22n/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/Q2J38QXF
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50299523
PNG
(2,5-Dimethoxy-N-(quinolin-3-yl)benzenesulfonamide ...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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PCBioAssay
n/an/a 530n/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/Q2J38QXF
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50299523
PNG
(2,5-Dimethoxy-N-(quinolin-3-yl)benzenesulfonamide ...)
Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.29E+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/Q2J38QXF
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50299537
PNG
(2-Methoxy-5-methyl-N-(pyridin-3-yl)benzenesulfonam...)
Show SMILES COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
Show InChI InChI=1S/C13H14N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-11-4-3-7-14-9-11/h3-9,15H,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.64E+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/Q2J38QXF
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM50299537
PNG
(2-Methoxy-5-methyl-N-(pyridin-3-yl)benzenesulfonam...)
Show SMILES COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
Show InChI InChI=1S/C13H14N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-11-4-3-7-14-9-11/h3-9,15H,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.66E+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/Q2J38QXF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%