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BDBM50299523 2,5-Dimethoxy-N-(quinolin-3-yl)benzenesulfonamide::CHEMBL567850::cid_2931238

SMILES: COc1ccc(OC)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1

InChI Key: InChIKey=JZSPHTPWUXNQGB-UHFFFAOYSA-N

Data: 2 KI  19 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 21 hits for monomerid = 50299523   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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340n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNAP using CDP-star as substrate by non-competitive Lineweaver-Burk plot


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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590n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNAP using DEA as substrate by non-competitive Lineweaver-Burk plot


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 150n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2SX6BMJ
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 194n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 201n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 237n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 125n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 143n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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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 (Human))
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
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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 placental-like


(Homo sapiens (Human))
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
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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 (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 190n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNAP transfected in african green monkey COS1 cells by colorimetric assay


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Phospholipase A-2-activating protein


(Homo sapiens (Human))
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
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of PLAP by luminescent assay


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
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
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of IAP by luminescent assay


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 230n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNAP right after mixing with enzyme (EI 0:0) by colorimetric assay


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 270n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNAP after 1 hr pre-incubation with enzyme (EI 1:1) by colorimetric assay


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 240n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TNAP after 1 hr incubation with enzyme post-dilution (EI 1:0) by colorimetric assay


J Med Chem 52: 6919-25 (2009)


Article DOI: 10.1021/jm900383s
BindingDB Entry DOI: 10.7270/Q2WS8T9M
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 15n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) using PPi as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
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
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n/an/a 6.14E+3n/an/an/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP (unknown origin) in whole blood using pNPP as substrate


Bioorg Med Chem Lett 28: 31-34 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.024
BindingDB Entry DOI: 10.7270/Q2PZ5CD9
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
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
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n/an/a>1.00E+5n/an/an/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/Q2JQ0ZDS
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
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
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PC sid
UniChem

Patents


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PCBioAssay
n/an/a>1.00E+5n/an/an/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/Q2JQ0ZDS
More data for this
Ligand-Target Pair