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BDBM43816 5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]-2'-one::5'-bromo-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one::5'-bromospiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]-2'-one::5'-bromospiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indoline]-2'-one::MLS-0258268.0001::cid_4879298

SMILES: Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1

InChI Key: InChIKey=LPLIRDQZBOMOQI-UHFFFAOYSA-N

Data: 9 IC50  11 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 20 hits for monomerid = 43816   
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))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a<195n/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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500887n
BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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/Q2DJ5D2M
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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
MPI protein


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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/Q2J964TC
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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/Q2J964TC
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a 2.38E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


Article DOI: 10.1021/cb4000629
BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a 848n/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))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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)


Article DOI: 10.1016/j.bioorg.2013.10.001
BindingDB Entry DOI: 10.7270/Q2N58JTN
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a 1.01E+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
Alpi


(Rattus norvegicus (Rat))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/a 8.09E+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/Q25Q4TJ1
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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 placental-like


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a 7.31E+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 (2011)


Article DOI: 10.1021/acs.biochem.5b00244
BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/an/an/a>9.90E+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 (2011)


Article DOI: 10.1021/acs.biochem.5b00221
BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/a 1.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500711x
BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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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/Q2DJ5D2M
More data for this
Ligand-Target Pair