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BDBM34922 3-(3-methylolanilino)-5-nitro-indol-2-one::3-[3-(hydroxymethyl)anilino]-5-nitro-2-indolone::3-[3-(hydroxymethyl)anilino]-5-nitroindol-2-one::3-[[3-(hydroxymethyl)phenyl]amino]-5-nitro-indol-2-one::MLS000710735::SMR000280502::cid_3109108

SMILES: OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O

InChI Key: InChIKey=QEXXQXQOKDLQOY-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 34922   
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
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM34922
PNG
(3-(3-methylolanilino)-5-nitro-indol-2-one | 3-[3-(...)
Show SMILES OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c19-8-9-2-1-3-10(6-9)16-14-12-7-11(18(21)22)4-5-13(12)17-15(14)20/h1-7,19H,8H2,(H,16,17,20)
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n/an/a 1.24E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
SUMO-conjugating enzyme UBC9


(Homo sapiens (Human))
BDBM34922
PNG
(3-(3-methylolanilino)-5-nitro-indol-2-one | 3-[3-(...)
Show SMILES OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c19-8-9-2-1-3-10(6-9)16-14-12-7-11(18(21)22)4-5-13(12)17-15(14)20/h1-7,19H,8H2,(H,16,17,20)
PDB
MMDB

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n/an/a 5.51E+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/Q2V986G8
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34922
PNG
(3-(3-methylolanilino)-5-nitro-indol-2-one | 3-[3-(...)
Show SMILES OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c19-8-9-2-1-3-10(6-9)16-14-12-7-11(18(21)22)4-5-13(12)17-15(14)20/h1-7,19H,8H2,(H,16,17,20)
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n/an/a 7.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM34922
PNG
(3-(3-methylolanilino)-5-nitro-indol-2-one | 3-[3-(...)
Show SMILES OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c19-8-9-2-1-3-10(6-9)16-14-12-7-11(18(21)22)4-5-13(12)17-15(14)20/h1-7,19H,8H2,(H,16,17,20)
PDB

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n/an/a>4.00E+4n/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- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34922
PNG
(3-(3-methylolanilino)-5-nitro-indol-2-one | 3-[3-(...)
Show SMILES OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c19-8-9-2-1-3-10(6-9)16-14-12-7-11(18(21)22)4-5-13(12)17-15(14)20/h1-7,19H,8H2,(H,16,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 7.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 1


(Homo sapiens (Human))
BDBM34922
PNG
(3-(3-methylolanilino)-5-nitro-indol-2-one | 3-[3-(...)
Show SMILES OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O4/c19-8-9-2-1-3-10(6-9)16-14-12-7-11(18(21)22)4-5-13(12)17-15(14)20/h1-7,19H,8H2,(H,16,17,20)
PDB
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n/an/a 1.87E+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/Q2BP0175
More data for this
Ligand-Target Pair