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BDBM50029781 (R)-(+)-N-{3-[5-(4-fluorobenzyl)thien-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea::A-85761::Atreleuton::CHEMBL59356::N-{(1R)-3-[5-(4-fluorobenzyl)thien-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea::N-{(1R)-3-[5-(4-fluorobenzyl)thien-2-yl]-1-methylprop-2-ynyl}-N-hydroxyurea (ABT-761)::{3-[5-(4-Fluoro-benzyl)-thiophen-2-yl]-1-methyl-prop-2-ynyl}-hydroxy urea

SMILES: C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O

InChI Key: InChIKey=MMSNEKOTSJRTRI-LLVKDONJSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50029781   
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


(Rattus norvegicus)
BDBM50029781
PNG
((R)-(+)-N-{3-[5-(4-fluorobenzyl)thien-2-yl]-1-meth...)
Show SMILES C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
Show InChI InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



OXIS International, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-lipoxygenase obtained from rat basophilic leukemia cells


J Med Chem 41: 420-7 (1998)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50029781
PNG
((R)-(+)-N-{3-[5-(4-fluorobenzyl)thien-2-yl]-1-meth...)
Show SMILES C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
Show InChI InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1
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PubMed
n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
5-lipoxygenase Inhibitory activity was measured by enzyme immunoassay using human whole blood stimulated with calcium ionophore (A23187) and LTB4 (le...


J Med Chem 38: 4768-75 (1996)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50029781
PNG
((R)-(+)-N-{3-[5-(4-fluorobenzyl)thien-2-yl]-1-meth...)
Show SMILES C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
Show InChI InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1
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PubMed
n/an/a 160n/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)

More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50029781
PNG
((R)-(+)-N-{3-[5-(4-fluorobenzyl)thien-2-yl]-1-meth...)
Show SMILES C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
Show InChI InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 160n/an/an/an/an/an/a



UCB Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against 5-lipoxygenase in a human whole blood assay


Bioorg Med Chem Lett 14: 2265-8 (2004)

More data for this
Ligand-Target Pair