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

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 = 50029781   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50029781 ((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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm970034q BindingDB Entry DOI: 10.7270/Q2JD4VW7
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50029781 ((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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2V40VV9
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50029781 ((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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50029781 ((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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2004.02.005 BindingDB Entry DOI: 10.7270/Q2BV7G2P
					More data for this Ligand-Target Pair