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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.1
BDBM75627
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 10 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
26S proteasome non-ATPase regulatory subunit 14


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/a 2.40E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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n/an/a 2.77E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase 1


(Rattus norvegicus (Rat))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/a 3.65E+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
Prothrombin


(Bos taurus (Bovine))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/a 9.16E+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, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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KEGG

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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 (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Sentrin-specific protease 6


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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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 (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
PDB
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KEGG

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n/an/an/an/a 1.17E+4n/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/Q2CF9NKD
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/an/an/a>1.00E+5n/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/Q24Q7SF3
More data for this
Ligand-Target Pair
Intestinal-type alkaline phosphatase


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
PDB
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n/an/an/an/a 7.56E+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/Q2ST7N9K
More data for this
Ligand-Target Pair
Alkaline phosphatase, germ cell type


(Homo sapiens (Human))
BDBM75627
PNG
(4-Bromo-2H-pyrazole-3-carboxylic acid [1-(2-hydrox...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
Show InChI InChI=1S/C15H11BrN4O2/c16-12-8-18-19-14(12)15(22)20-17-7-11-10-4-2-1-3-9(10)5-6-13(11)21/h1-8,21H,(H,18,19)(H,20,22)/b17-7+
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n/an/an/an/a 1.10E+4n/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/Q20Z71R6
More data for this
Ligand-Target Pair