BindingDB logo
myBDB logout

13 similar compounds to monomer 50331797

Compile data set for download or QSAR
Wt: 461.4
BDBM50331793
Wt: 447.4
BDBM50331794
Wt: 475.5
BDBM50331795
Wt: 461.5
BDBM50331796
Wt: 488.5
BDBM50331798
Wt: 474.4
BDBM50331799
Wt: 460.4
BDBM50331800
Wt: 460.4
BDBM50331801
Wt: 478.4
BDBM50331802
Wt: 478.4
BDBM50331803
Wt: 478.4
BDBM50331804
Wt: 479.4
BDBM50331805
Wt: 475.4
BDBM50331806

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50331793,50331794,50331795,50331796,50331798,50331799,50331800,50331801,50331802,50331803,50331804,50331805,50331806   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331795
PNG
(1,1,1-trifluoro-2-(1-((2-(2-hydroxypropan-2-yl)-3-...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)(C)O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-4-23(32,24(25,26)27)19-14-30(29-28-19)13-15-10-11-17-18(12-15)33-21(22(2,3)31)20(17)16-8-6-5-7-9-16/h5-12,14,31-32H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331796
PNG
(1,1,1-trifluoro-2-(1-((2-(1-hydroxyethyl)-3-phenyl...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2S/c1-3-22(31,23(24,25)26)19-13-29(28-27-19)12-15-9-10-17-18(11-15)32-21(14(2)30)20(17)16-7-5-4-6-8-16/h4-11,13-14,30-31H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331806
PNG
(CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifl...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3S/c1-3-22(31,23(24,25)26)18-13-29(28-27-18)12-14-9-10-16-17(11-14)33-20(21(30)32-2)19(16)15-7-5-4-6-8-15/h4-11,13,31H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331804
PNG
((R)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331794
PNG
(1,1,1-trifluoro-2-(1-((2-(hydroxymethyl)-3-phenylb...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(CO)sc3c2)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O2S/c1-2-21(30,22(23,24)25)19-12-28(27-26-19)11-14-8-9-16-17(10-14)31-18(13-29)20(16)15-6-4-3-5-7-15/h3-10,12,29-30H,2,11,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331803
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331802
PNG
((S)-3-(3-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2cccc(F)c2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-6-7-15-16(8-12)33-19(20(27)31)18(15)13-4-3-5-14(23)9-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331801
PNG
((S)-3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2S/c1-2-21(31,22(23,24)25)17-12-29(28-27-17)11-13-8-9-15-16(10-13)32-19(20(26)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H2,26,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331800
PNG
(3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-y...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2S/c1-2-21(31,22(23,24)25)17-12-29(28-27-17)11-13-8-9-15-16(10-13)32-19(20(26)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H2,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331793
PNG
(3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-y...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O3S/c1-2-21(31,22(23,24)25)17-12-28(27-26-17)11-13-8-9-15-16(10-13)32-19(20(29)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331799
PNG
(CHEMBL1289329 | N-methyl-3-phenyl-6-((4-(1,1,1-tri...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)NC)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N4O2S/c1-3-22(32,23(24,25)26)18-13-30(29-28-18)12-14-9-10-16-17(11-14)33-20(21(31)27-2)19(16)15-7-5-4-6-8-15/h4-11,13,32H,3,12H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331798
PNG
(CHEMBL1289328 | N,N-dimethyl-3-phenyl-6-((4-(1,1,1...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)N(C)C)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N4O2S/c1-4-23(33,24(25,26)27)19-14-31(29-28-19)13-15-10-11-17-18(12-15)34-21(22(32)30(2)3)20(17)16-8-6-5-7-9-16/h5-12,14,33H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331805
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O3S/c1-2-21(32,22(24,25)26)17-11-29(28-27-17)10-12-3-8-15-16(9-12)33-19(20(30)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H,30,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of labeled MK-499 from human ERG


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331804
PNG
((R)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331805
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O3S/c1-2-21(32,22(24,25)26)17-11-29(28-27-17)10-12-3-8-15-16(9-12)33-19(20(30)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H,30,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331806
PNG
(CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifl...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3S/c1-3-22(31,23(24,25)26)18-13-29(28-27-18)12-14-9-10-16-17(11-14)33-20(21(30)32-2)19(16)15-7-5-4-6-8-15/h4-11,13,31H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331793
PNG
(3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-y...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O3S/c1-2-21(31,22(23,24)25)17-12-28(27-26-17)11-13-8-9-15-16(10-13)32-19(20(29)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331794
PNG
(1,1,1-trifluoro-2-(1-((2-(hydroxymethyl)-3-phenylb...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(CO)sc3c2)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O2S/c1-2-21(30,22(23,24)25)19-12-28(27-26-19)11-14-8-9-16-17(10-14)31-18(13-29)20(16)15-6-4-3-5-7-15/h3-10,12,29-30H,2,11,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331795
PNG
(1,1,1-trifluoro-2-(1-((2-(2-hydroxypropan-2-yl)-3-...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)(C)O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-4-23(32,24(25,26)27)19-14-30(29-28-19)13-15-10-11-17-18(12-15)33-21(22(2,3)31)20(17)16-8-6-5-7-9-16/h5-12,14,31-32H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 392n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331796
PNG
(1,1,1-trifluoro-2-(1-((2-(1-hydroxyethyl)-3-phenyl...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2S/c1-3-22(31,23(24,25)26)19-13-29(28-27-19)12-15-9-10-17-18(11-15)32-21(14(2)30)20(17)16-7-5-4-6-8-16/h4-11,13-14,30-31H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 161n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331798
PNG
(CHEMBL1289328 | N,N-dimethyl-3-phenyl-6-((4-(1,1,1...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)N(C)C)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N4O2S/c1-4-23(33,24(25,26)27)19-14-31(29-28-19)13-15-10-11-17-18(12-15)34-21(22(32)30(2)3)20(17)16-8-6-5-7-9-16/h5-12,14,33H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.84E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331799
PNG
(CHEMBL1289329 | N-methyl-3-phenyl-6-((4-(1,1,1-tri...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)NC)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N4O2S/c1-3-22(32,23(24,25)26)18-13-30(29-28-18)12-14-9-10-16-17(11-14)33-20(21(31)27-2)19(16)15-7-5-4-6-8-15/h4-11,13,32H,3,12H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 263n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331800
PNG
(3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-y...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2S/c1-2-21(31,22(23,24)25)17-12-29(28-27-17)11-13-8-9-15-16(10-13)32-19(20(26)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H2,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331801
PNG
((S)-3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2S/c1-2-21(31,22(23,24)25)17-12-29(28-27-17)11-13-8-9-15-16(10-13)32-19(20(26)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H2,26,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331802
PNG
((S)-3-(3-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2cccc(F)c2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-6-7-15-16(8-12)33-19(20(27)31)18(15)13-4-3-5-14(23)9-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331803
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331804
PNG
((R)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 154n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331805
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H17F4N3O3S/c1-2-21(32,22(24,25)26)17-11-29(28-27-17)10-12-3-8-15-16(9-12)33-19(20(30)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H,30,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in human whole blood assessed as inhibition of LTB4 production


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331803
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331802
PNG
((S)-3-(3-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2cccc(F)c2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-6-7-15-16(8-12)33-19(20(27)31)18(15)13-4-3-5-14(23)9-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331801
PNG
((S)-3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2S/c1-2-21(31,22(23,24)25)17-12-29(28-27-17)11-13-8-9-15-16(10-13)32-19(20(26)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H2,26,30)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331800
PNG
(3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-y...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O2S/c1-2-21(31,22(23,24)25)17-12-29(28-27-17)11-13-8-9-15-16(10-13)32-19(20(26)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H2,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331799
PNG
(CHEMBL1289329 | N-methyl-3-phenyl-6-((4-(1,1,1-tri...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)NC)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N4O2S/c1-3-22(32,23(24,25)26)18-13-30(29-28-18)12-14-9-10-16-17(11-14)33-20(21(31)27-2)19(16)15-7-5-4-6-8-15/h4-11,13,32H,3,12H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 223n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331796
PNG
(1,1,1-trifluoro-2-(1-((2-(1-hydroxyethyl)-3-phenyl...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O2S/c1-3-22(31,23(24,25)26)19-13-29(28-27-19)12-15-9-10-17-18(11-15)32-21(14(2)30)20(17)16-7-5-4-6-8-16/h4-11,13-14,30-31H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331795
PNG
(1,1,1-trifluoro-2-(1-((2-(2-hydroxypropan-2-yl)-3-...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(C)(C)O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O2S/c1-4-23(32,24(25,26)27)19-14-30(29-28-19)13-15-10-11-17-18(12-15)33-21(22(2,3)31)20(17)16-8-6-5-7-9-16/h5-12,14,31-32H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 198n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331794
PNG
(1,1,1-trifluoro-2-(1-((2-(hydroxymethyl)-3-phenylb...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(CO)sc3c2)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O2S/c1-2-21(30,22(23,24)25)19-12-28(27-26-19)11-14-8-9-16-17(10-14)31-18(13-29)20(16)15-6-4-3-5-7-15/h3-10,12,29-30H,2,11,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331793
PNG
(3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-y...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(O)=O)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F3N3O3S/c1-2-21(31,22(23,24)25)17-12-28(27-26-17)11-13-8-9-15-16(10-13)32-19(20(29)30)18(15)14-6-4-3-5-7-14/h3-10,12,31H,2,11H2,1H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331806
PNG
(CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifl...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N3O3S/c1-3-22(31,23(24,25)26)18-13-29(28-27-18)12-14-9-10-16-17(11-14)33-20(21(30)32-2)19(16)15-7-5-4-6-8-15/h4-11,13,31H,3,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50331803
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase activating protein


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50331803
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 15-lipoxygenase


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50331803
PNG
((S)-3-(4-fluorophenyl)-6-((4-(1,1,1-trifluoro-2-hy...)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(c(sc3c2)C(N)=O)-c2ccc(F)cc2)nn1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O2S/c1-2-21(32,22(24,25)26)17-11-30(29-28-17)10-12-3-8-15-16(9-12)33-19(20(27)31)18(15)13-4-6-14(23)7-5-13/h3-9,11,32H,2,10H2,1H3,(H2,27,31)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of 12-lipoxygenase


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50331798
PNG
(CHEMBL1289328 | N,N-dimethyl-3-phenyl-6-((4-(1,1,1...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)N(C)C)-c2ccccc2)nn1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N4O2S/c1-4-23(33,24(25,26)27)19-14-31(29-28-19)13-15-10-11-17-18(12-15)34-21(22(32)30(2)3)20(17)16-8-6-5-7-9-16/h5-12,14,33H,4,13H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.89E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase assessed as arachidonic acid oxidation


Bioorg Med Chem Lett 20: 7440-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.024
BindingDB Entry DOI: 10.7270/Q2XG9RC8
More data for this
Ligand-Target Pair