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BDBM50011421 2-(4-Nitro-phenyl)-chromen-4-one::CHEMBL64780

SMILES: [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1

InChI Key: InChIKey=CKSVYVHLZNMXLX-UHFFFAOYSA-N

Data: 2 KI  6 IC50

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 8 hits for monomerid = 50011421   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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Article
PubMed
200n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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840n/an/an/an/an/an/an/an/a



Birla Institute of Technology



Assay Description
The activities of recombinant hMAO-A and hMAO-B were determined using p-tyramine as common substrate and calculated as 0.18 +/- 0.01 nmol/mg/min (n =...


Bioorg Chem 58: 72-80 (2015)


Article DOI: 10.1016/j.bioorg.2014.11.008
BindingDB Entry DOI: 10.7270/Q2PG1QFJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD1 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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KEGG

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n/an/a 8.32E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD2 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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MMDB

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Article
PubMed
n/an/a 2.69E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD1 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a



Prin. K.M. Kundnani College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (H1N1) neuraminidase


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
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n/an/a>2.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit protein-tyrosine kinase activity of p56lck (isolated from bovine thymus) in vitro.


J Med Chem 34: 798-806 (1991)


BindingDB Entry DOI: 10.7270/Q2CF9P3J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50011421
PNG
(2-(4-Nitro-phenyl)-chromen-4-one | CHEMBL64780)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H9NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-9H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
MMDB
PC cid
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Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human full length ARTD2 using NAD+ as substrate by fluorescence assay


J Med Chem 56: 7880-9 (2013)


Article DOI: 10.1021/jm401463y
BindingDB Entry DOI: 10.7270/Q2474C9C
More data for this
Ligand-Target Pair