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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for UniProtKB: P19835   
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
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244756
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-1,2-benzisothi...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
Show InChI InChI=1S/C12H4F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244755
PNG
(2-(Pyridin-4-yl)-4,5,6,7-tetrahydro-1,2-benzisothi...)
Show SMILES O=C1N(c2cc[nH+]cc2)S(=O)(=O)C2=C1CCCC2 |c:13|
Show InChI InChI=1S/C12H12N2O3S/c15-12-10-3-1-2-4-11(10)18(16,17)14(12)9-5-7-13-8-6-9/h5-8H,1-4H2/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244754
PNG
(2-(2,3,4,5,6-Pentafluorophenyl)-4,5,6,7-tetrahydro...)
Show SMILES Fc1c(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1F |t:10|
Show InChI InChI=1S/C13H8F5NO3S/c14-7-8(15)10(17)12(11(18)9(7)16)19-13(20)5-3-1-2-4-6(5)23(19,21)22/h1-4H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244704
PNG
(2-(6-Bromopyridin-2-yl)-4,5,6,7-tetrahydro-1,2-ben...)
Show SMILES Brc1cccc(n1)N1C(=O)C2=C(CCCC2)S1(=O)=O |t:11|
Show InChI InChI=1S/C12H11BrN2O3S/c13-10-6-3-7-11(14-10)15-12(16)8-4-1-2-5-9(8)19(15,17)18/h3,6-7H,1-2,4-5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244752
PNG
(4,5-Dimethyl-2-(2,3,5,6-tetrafluoropyridin-4-yl)-i...)
Show SMILES CC1=C(C)S(=O)(=O)N(C1=O)c1c(F)c(F)nc(F)c1F |c:1|
Show InChI InChI=1S/C10H6F4N2O3S/c1-3-4(2)20(18,19)16(10(3)17)7-5(11)8(13)15-9(14)6(7)12/h1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244751
PNG
(2-(2,3,5,6-Tetrafluoropyridin-4-yl)-4,5,6,7-tetrah...)
Show SMILES Fc1nc(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c1F |t:11|
Show InChI InChI=1S/C12H8F4N2O3S/c13-7-9(8(14)11(16)17-10(7)15)18-12(19)5-3-1-2-4-6(5)22(18,20)21/h1-4H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244705
PNG
(2-(3,5-Difluoropyridin-2-yl)-4,5,6,7-tetrahydro-1,...)
Show SMILES Fc1cnc(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1 |t:8|
Show InChI InChI=1S/C12H10F2N2O3S/c13-7-5-9(14)11(15-6-7)16-12(17)8-3-1-2-4-10(8)20(16,18)19/h5-6H,1-4H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244703
PNG
(2-(6-Chloropyridin-2-yl)-4,5,6,7-tetrahydro-1,2-be...)
Show SMILES Clc1cccc(n1)N1C(=O)C2=C(CCCC2)S1(=O)=O |t:11|
Show InChI InChI=1S/C12H11ClN2O3S/c13-10-6-3-7-11(14-10)15-12(16)8-4-1-2-5-9(8)19(15,17)18/h3,6-7H,1-2,4-5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair
Bile salt-activated lipase


(Homo sapiens (Human))
BDBM50244753
PNG
(5-Methyl-4-phenyl-2-(2,3,5,6-tetrafluoropyridin-4-...)
Show SMILES CC1=C(C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O)c1ccccc1 |t:1|
Show InChI InChI=1S/C15H8F4N2O3S/c1-7-9(8-5-3-2-4-6-8)15(22)21(25(7,23)24)12-10(16)13(18)20-14(19)11(12)17/h2-6H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of cholesterol esterase (unknown origin)


Bioorg Med Chem 16: 8127-35 (2008)


Article DOI: 10.1016/j.bmc.2008.07.049
BindingDB Entry DOI: 10.7270/Q26M36NT
More data for this
Ligand-Target Pair