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BDBM50158387 4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-hydroxy-2-naphthoic acid::CHEMBL222808::NSC-292213

SMILES: OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O

InChI Key: InChIKey=BRCWHTNRFUVIQT-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50158387   
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
AICAR transformylase


(Homo sapiens (Human))
BDBM50158387
PNG
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)
Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32)
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PC cid
PC sid
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Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human AICAR Tfase


J Med Chem 47: 6681-90 (2004)


Article DOI: 10.1021/jm049504o
BindingDB Entry DOI: 10.7270/Q2PZ589Q
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50158387
PNG
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)
Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 15-hLO2


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50158387
PNG
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)
Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 15-hLO1


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50158387
PNG
(4-[(3-carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-...)
Show SMILES OC(=O)c1cc(C(=O)C(=O)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2c1O
Show InChI InChI=1S/C24H14O8/c25-19-13-7-3-1-5-11(13)15(9-17(19)23(29)30)21(27)22(28)16-10-18(24(31)32)20(26)14-8-4-2-6-12(14)16/h1-10,25-26H,(H,29,30)(H,31,32)
PDB
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n/an/a 150n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human 12-hLO


Bioorg Med Chem 15: 6900-8 (2007)


Article DOI: 10.1016/j.bmc.2007.08.015
BindingDB Entry DOI: 10.7270/Q2Z89D81
More data for this
Ligand-Target Pair