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BDBM46433 5'-nitro-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]one::5'-nitrospiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-1H-indole]-2'-one::5'-nitrospiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3'-indoline]-2'-one::MLS-0315868.0001::cid_3921071

SMILES: [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1

InChI Key: InChIKey=VNYMEPQAFKNDRQ-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 46433   
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
MPI protein


(Homo sapiens (Human))
BDBM46433
PNG
(5'-nitro-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10N4O4/c19-13-14(17-16-11-3-1-2-4-12(11)22-14)9-7-8(18(20)21)5-6-10(9)15-13/h1-7,16-17H,(H,15,19)
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UniProtKB/SwissProt

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UniChem

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PCBioAssay
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM46433
PNG
(5'-nitro-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10N4O4/c19-13-14(17-16-11-3-1-2-4-12(11)22-14)9-7-8(18(20)21)5-6-10(9)15-13/h1-7,16-17H,(H,15,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 300n/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
MPI protein


(Homo sapiens (Human))
BDBM46433
PNG
(5'-nitro-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10N4O4/c19-13-14(17-16-11-3-1-2-4-12(11)22-14)9-7-8(18(20)21)5-6-10(9)15-13/h1-7,16-17H,(H,15,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM46433
PNG
(5'-nitro-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10N4O4/c19-13-14(17-16-11-3-1-2-4-12(11)22-14)9-7-8(18(20)21)5-6-10(9)15-13/h1-7,16-17H,(H,15,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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