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BDBM106775 6,7‐dihydroxy‐3‐(4‐nitrophenyl)‐4H‐chromen‐4‐one::6,7-Dihydroxy-4′-nitroisoflavone (1b)::IR-6

SMILES: Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O

InChI Key: InChIKey=ALGKUYVATFTEGP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 106775   
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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM106775
PNG
(6,7‐dihydroxy‐3‐(4‐nitroph...)
Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM106775
PNG
(6,7‐dihydroxy‐3‐(4‐nitroph...)
Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM106775
PNG
(6,7‐dihydroxy‐3‐(4‐nitroph...)
Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.523



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM106775
PNG
(6,7‐dihydroxy‐3‐(4‐nitroph...)
Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/a7.523



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM106775
PNG
(6,7‐dihydroxy‐3‐(4‐nitroph...)
Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/a8.023



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair