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BDBM46436 2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triazol-5-yl)ethanamide::2-(4-chloro-3-methyl-phenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide::2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide::MLS-0146327.0003::cid_704205

SMILES: Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl

InChI Key: InChIKey=DDSVUTNMKCJKGE-UHFFFAOYSA-N

Data: 4 IC50  8 EC50

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 12 hits for monomerid = 46436   
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 placental-like


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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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 placental-like


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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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 placental-like


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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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))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 6.19E+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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 1.05E+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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 1.70E+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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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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 (2009)


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


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
PDB
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n/an/an/an/a 1.07E+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/Q2ST7N9K
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
PDB
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n/an/an/an/a 2.10E+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/Q2CF9NKD
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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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/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 1.55E+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/Q24Q7SF3
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46436
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(1H-1,2,4-triaz...)
Show SMILES Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-7-4-8(2-3-9(7)12)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 8.19E+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