BindingDB PrimarySearch

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: 7 KI 5 IC50 2 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 64987
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
E£tv£s Lor£nd University Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...				J Med Chem 56: 8377-88 (2013) Article DOI: 10.1021/jm400813y BindingDB Entry DOI: 10.7270/Q2MG7SGG
E£tv£s Lor£nd University Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
University of Ljubljana Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
University of Ljubljana Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
University of Ljubljana Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
University of Ljubljana Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.72E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
University of Ljubljana Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.72E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
University of Ljubljana Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
LAP4 (Saccharomyces cerevisiae)	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	607	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q21R6P02
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of BRD4 BD1 (unknown origin) using biotin labelled NeC: SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K as substrate preincubated for 15...				Eur J Med Chem 163: 281-294 (2019) Article DOI: 10.1016/j.ejmech.2018.11.018
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Northern Illinois University Curated by ChEMBL					Assay Description Inhibition of human methionine aminopeptidase 2				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400034m BindingDB Entry DOI: 10.7270/Q2XW4M72
Northern Illinois University Curated by ChEMBL					More data for this Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1) (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northern Illinois University Curated by ChEMBL					Assay Description Inhibition of human methionine aminopeptidase 1				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400034m BindingDB Entry DOI: 10.7270/Q2XW4M72
Northern Illinois University Curated by ChEMBL					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of BRD4 in human MV4-11 cells using biotin labelled N-C:SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K as substrate preincubated for 15...				Eur J Med Chem 163: 281-294 (2019) Article DOI: 10.1016/j.ejmech.2018.11.018
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Methionine aminopeptidase 2 (Homo sapiens (Human))	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged MetAP2 expressed in baculovirus infected BTI-TN-5B1-4 insect cells using Met-Pro-pNA as substra...				J Med Chem 62: 5025-5039 (2019) Article DOI: 10.1021/acs.jmedchem.9b00041
Merck Healthcare Curated by ChEMBL					More data for this Ligand-Target Pair
LAP4 (Saccharomyces cerevisiae)	BDBM64987 (5-nitro-8-quinolinol \| 5-nitroquinolin-8-ol \| 8-HY...) Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	752	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q21R6P02
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair