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3 similar compounds to monomer 50031153

Compile data set for download or QSAR
Wt: 377.5
BDBM50031134
Wt: 434.5
BDBM50031142
Wt: 476.6
BDBM50031144

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50031134,50031142,50031144   
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))
BDBM50031134
PNG
(1-{4-[4-(2,2,4-Trimethyl-[1,3]dioxolan-4-yl)-thiop...)
Show SMILES CO\N=C(/C)c1ccc(Sc2cc(cs2)C2(C)COC(C)(C)O2)cc1
Show InChI InChI=1S/C19H23NO3S2/c1-13(20-21-5)14-6-8-16(9-7-14)25-17-10-15(11-24-17)19(4)12-22-18(2,3)23-19/h6-11H,12H2,1-5H3/b20-13+
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PC cid
PC sid
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Article
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n/an/a 270n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LT biosynthesis in vitro using A-23,187-stimulated human whole blood.


J Med Chem 38: 3951-6 (1995)


Article DOI: 10.1021/jm00020a008
BindingDB Entry DOI: 10.7270/Q22J69WD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50031144
PNG
(1-{4-[4-((S)-2,2,4-Trimethyl-[1,3]dioxolan-4-yl)-t...)
Show SMILES C\C(=N/OCCN1CCOCC1)c1ccc(Sc2cc(cs2)[C@@]2(C)COC(C)(C)O2)cc1
Show InChI InChI=1S/C24H32N2O4S2/c1-18(25-29-14-11-26-9-12-27-13-10-26)19-5-7-21(8-6-19)32-22-15-20(16-31-22)24(4)17-28-23(2,3)30-24/h5-8,15-16H,9-14,17H2,1-4H3/b25-18+/t24-/m1/s1
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n/an/a 1.51E+3n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LT biosynthesis in vitro using A-23,187-stimulated human whole blood.


J Med Chem 38: 3951-6 (1995)


Article DOI: 10.1021/jm00020a008
BindingDB Entry DOI: 10.7270/Q22J69WD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50031142
PNG
(CHEMBL129448 | [1-{4-[4-((S)-2,2,4-Trimethyl-[1,3]...)
Show SMILES C\C(=N/OCC#N)c1ccc(cc1)S(=O)(=O)c1cc(cs1)[C@@]1(C)COC(C)(C)O1
Show InChI InChI=1S/C20H22N2O5S2/c1-14(22-26-10-9-21)15-5-7-17(8-6-15)29(23,24)18-11-16(12-28-18)20(4)13-25-19(2,3)27-20/h5-8,11-12H,10,13H2,1-4H3/b22-14+/t20-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of LT biosynthesis in vitro using A-23,187-stimulated human whole blood.


J Med Chem 38: 3951-6 (1995)


Article DOI: 10.1021/jm00020a008
BindingDB Entry DOI: 10.7270/Q22J69WD
More data for this
Ligand-Target Pair