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BDBM50011736 CHEMBL3262909

SMILES: CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MTKMTALYHIOLPG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50011736   
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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50011736
PNG
(CHEMBL3262909)
Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
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Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric an...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50011736
PNG
(CHEMBL3262909)
Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
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PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human epithelial 15-lipoxygenase-2 using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50011736
PNG
(CHEMBL3262909)
Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50011736
PNG
(CHEMBL3262909)
Show SMILES CNc1oc(nc1C#N)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H7Cl2N3O/c1-15-11-9(5-14)16-10(17-11)6-2-3-7(12)8(13)4-6/h2-4,15H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human 5-lipoxygenase using arachidonic acid as substrate by UV-vis spectrometric analysis


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair