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BDBM64987 5-nitro-8-quinolinol::5-nitroquinolin-8-ol::8-HYDROXY-5-NITROQUINOLINE::MLS000069750::SMR000059036::cid_19910::nitroxoline

SMILES: Oc1ccc([N+]([O-])=O)c2cccnc12

InChI Key: InChIKey=RJIWZDNTCBHXAL-UHFFFAOYSA-N

Data: 3 KI  2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 64987   
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
Cathepsin (B and K)


(Homo sapiens)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
PDB
MMDB

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3.95E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-substrate-inhibitor complex


J Med Chem 56: 521-33 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin (B and K)


(Homo sapiens)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
PDB
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1.54E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex


J Med Chem 56: 521-33 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin (B and K)


(Homo sapiens)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
PDB
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2.72E+5n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of cathepsin B (unknown origin) exopeptidase activity assessed as inhibition constant for enzyme-inhibitor complex


J Med Chem 56: 521-33 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LAP4


(Saccharomyces cerevisiae)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
PDB

KEGG

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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 607n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (human))
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 2


Citation and Details
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (human))
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
PDB
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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human methionine aminopeptidase 1


Citation and Details
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
PDB

KEGG

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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 752n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair