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BDBM50058637 CHEMBL61728::N-hydroxy-N-(1-thieno[2,3-b]thien-2-ylethyl)urea

SMILES: CC(N(O)C(N)=O)c1cc2ccsc2s1

InChI Key: InChIKey=MPKUBEKKAWQRAF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50058637   
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 5-lipoxygenase


(Homo sapiens (Human))
BDBM50058637
PNG
(CHEMBL61728 | N-hydroxy-N-(1-thieno[2,3-b]thien-2-...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccsc2s1
Show InChI InChI=1S/C9H10N2O2S2/c1-5(11(13)9(10)12)7-4-6-2-3-14-8(6)15-7/h2-5,13H,1H3,(H2,10,12)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase (5-LO) measured as LTB4 production in human whole blood stimulated with calcium ionophore (A23187).


J Med Chem 40: 1955-68 (1997)


Article DOI: 10.1021/jm9700474
BindingDB Entry DOI: 10.7270/Q2NV9JWT
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50058637
PNG
(CHEMBL61728 | N-hydroxy-N-(1-thieno[2,3-b]thien-2-...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccsc2s1
Show InChI InChI=1S/C9H10N2O2S2/c1-5(11(13)9(10)12)7-4-6-2-3-14-8(6)15-7/h2-5,13H,1H3,(H2,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase on rat basophil leukemia cell line lysate (RBL-1 2H3 subline) by measuring 5-HETE production


J Med Chem 40: 1955-68 (1997)


Article DOI: 10.1021/jm9700474
BindingDB Entry DOI: 10.7270/Q2NV9JWT
More data for this
Ligand-Target Pair