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BDBM50222290 3'-chloro-7,8-dihydroxyisoflavone::CHEMBL241815::IR-308

SMILES: Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O

InChI Key: InChIKey=KGASEMKSFXQPPD-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 = 50222290   
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
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
PDB
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



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))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
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Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
PDB

Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair