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PubMed code 22877630

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390517
PNG
(CHEMBL2071652)
Show SMILES CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Br
Show InChI InChI=1S/C13H11Br2NO2/c1-16(2)13(17)18-11-6-3-8-7-9(14)4-5-10(8)12(11)15/h3-7H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390544
PNG
(CHEMBL2071655)
Show SMILES CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Cl
Show InChI InChI=1S/C13H11BrClNO2/c1-16(2)13(17)18-11-6-3-8-7-9(14)4-5-10(8)12(11)15/h3-7H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390508
PNG
(CHEMBL2069333)
Show SMILES CCCCOC[C@H]1CCCC[C@H]1COCCNC(=O)Oc1ccccc1F |r|
Show InChI InChI=1S/C21H32FNO4/c1-2-3-13-25-15-17-8-4-5-9-18(17)16-26-14-12-23-21(24)27-20-11-7-6-10-19(20)22/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,23,24)/t17-,18+/m1/s1
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390518
PNG
(CHEMBL2071651)
Show SMILES CCCc1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1
Show InChI InChI=1S/C16H18BrNO2/c1-4-5-11-6-8-13-12(10-11)7-9-14(15(13)17)20-16(19)18(2)3/h6-10H,4-5H2,1-3H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390516
PNG
(CHEMBL2071653)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Cl)C#N
Show InChI InChI=1S/C14H11ClN2O2/c1-17(2)14(18)19-12-6-4-10-7-9(8-16)3-5-11(10)13(12)15/h3-7H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390508
PNG
(CHEMBL2069333)
Show SMILES CCCCOC[C@H]1CCCC[C@H]1COCCNC(=O)Oc1ccccc1F |r|
Show InChI InChI=1S/C21H32FNO4/c1-2-3-13-25-15-17-8-4-5-9-18(17)16-26-14-12-23-21(24)27-20-11-7-6-10-19(20)22/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,23,24)/t17-,18+/m1/s1
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate after 1 hr by serine hydrolase activity-based probe assa...

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390515
PNG
(CHEMBL2071654)
Show SMILES CCCc1ccc2c(Cl)c(OC(=O)N(C)C)ccc2c1
Show InChI InChI=1S/C16H18ClNO2/c1-4-5-11-6-8-13-12(10-11)7-9-14(15(13)17)20-16(19)18(2)3/h6-10H,4-5H2,1-3H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390519
PNG
(CHEMBL2071650)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C#N
Show InChI InChI=1S/C14H11BrN2O2/c1-17(2)14(18)19-12-6-4-10-7-9(8-16)3-5-11(10)13(12)15/h3-7H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390520
PNG
(CHEMBL2071649)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H24BrN3O3/c1-26(2)24(30)31-21-11-9-17-16-18(8-10-20(17)22(21)25)23(29)28-14-12-27(13-15-28)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390528
PNG
(CHEMBL2071641)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1I
Show InChI InChI=1S/C13H12INO2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390513
PNG
(CHEMBL2071656)
Show SMILES Brc1c(OC(=O)N2CCC2)ccc2ccccc12
Show InChI InChI=1S/C14H12BrNO2/c15-13-11-5-2-1-4-10(11)6-7-12(13)18-14(17)16-8-3-9-16/h1-2,4-7H,3,8-9H2
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390510
PNG
(CHEMBL2071659)
Show SMILES Brc1c(OC(=O)NCc2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C18H14BrNO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)22-18(21)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390529
PNG
(CHEMBL2071640)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4/c1-14(2)13(16)19-11-8-7-9-5-3-4-6-10(9)12(11)15(17)18/h3-8H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390523
PNG
(CHEMBL2071646)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25BrN2O3/c1-24(2)21(26)27-18-12-10-14-13-15(9-11-17(14)19(18)22)20(25)23-16-7-5-3-4-6-8-16/h9-13,16H,3-8H2,1-2H3,(H,23,25)
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n/an/a 920n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390541
PNG
(CHEMBL2071629)
Show SMILES CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C13H12BrNO2/c1-15(2)13(16)17-12-6-4-9-7-11(14)5-3-10(9)8-12/h3-8H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390509
PNG
(CHEMBL2069332)
Show SMILES Brc1c(OC(=O)N2CCCCC2)ccc2ccccc12
Show InChI InChI=1S/C16H16BrNO2/c17-15-13-7-3-2-6-12(13)8-9-14(15)20-16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390530
PNG
(CHEMBL1481956)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1Cl
Show InChI InChI=1S/C13H12ClNO2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390514
PNG
(CHEMBL2071626)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1Br
Show InChI InChI=1S/C13H12BrNO2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390522
PNG
(CHEMBL2071647)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H17BrN2O3/c1-23(2)20(25)26-17-11-9-13-12-14(8-10-16(13)18(17)21)19(24)22-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390524
PNG
(CHEMBL2071645)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H21BrN2O3/c1-22(2)19(24)25-16-10-8-12-11-13(7-9-15(12)17(16)20)18(23)21-14-5-3-4-6-14/h7-11,14H,3-6H2,1-2H3,(H,21,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390511
PNG
(CHEMBL2071658)
Show SMILES CC(C)NC(=O)Oc1ccc2ccccc2c1Br
Show InChI InChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3,(H,16,17)
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390514
PNG
(CHEMBL2071626)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1Br
Show InChI InChI=1S/C13H12BrNO2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,1-2H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390526
PNG
(CHEMBL2071643)
Show SMILES CCCCCCCNC(=O)c1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1
Show InChI InChI=1S/C21H27BrN2O3/c1-4-5-6-7-8-13-23-20(25)16-9-11-17-15(14-16)10-12-18(19(17)22)27-21(26)24(2)3/h9-12,14H,4-8,13H2,1-3H3,(H,23,25)
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n/an/a 1.70E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390513
PNG
(CHEMBL2071656)
Show SMILES Brc1c(OC(=O)N2CCC2)ccc2ccccc12
Show InChI InChI=1S/C14H12BrNO2/c15-13-11-5-2-1-4-10(11)6-7-12(13)18-14(17)16-8-3-9-16/h1-2,4-7H,3,8-9H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390512
PNG
(CHEMBL2071657)
Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1Br
Show InChI InChI=1S/C15H16BrNO2/c1-2-3-10-17-15(18)19-13-9-8-11-6-4-5-7-12(11)14(13)16/h4-9H,2-3,10H2,1H3,(H,17,18)
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n/an/a 2.20E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 4 hrs measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390536
PNG
(CHEMBL2071634)
Show SMILES CCCc1c(OC(=O)N(C)C)ccc2ccccc12
Show InChI InChI=1S/C16H19NO2/c1-4-7-14-13-9-6-5-8-12(13)10-11-15(14)19-16(18)17(2)3/h5-6,8-11H,4,7H2,1-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390532
PNG
(CHEMBL2069331)
Show SMILES COC(=O)c1c(OC(=O)N(C)C)ccc2ccccc12
Show InChI InChI=1S/C15H15NO4/c1-16(2)15(18)20-12-9-8-10-6-4-5-7-11(10)13(12)14(17)19-3/h4-9H,1-3H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390508
PNG
(CHEMBL2069333)
Show SMILES CCCCOC[C@H]1CCCC[C@H]1COCCNC(=O)Oc1ccccc1F |r|
Show InChI InChI=1S/C21H32FNO4/c1-2-3-13-25-15-17-8-4-5-9-18(17)16-26-14-12-23-21(24)27-20-11-7-6-10-19(20)22/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,23,24)/t17-,18+/m1/s1
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390537
PNG
(CHEMBL2071633)
Show SMILES CCc1c(OC(=O)N(C)C)ccc2ccccc12
Show InChI InChI=1S/C15H17NO2/c1-4-12-13-8-6-5-7-11(13)9-10-14(12)18-15(17)16(2)3/h5-10H,4H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390535
PNG
(CHEMBL2071635)
Show SMILES CCCCc1c(OC(=O)N(C)C)ccc2ccccc12
Show InChI InChI=1S/C17H21NO2/c1-4-5-9-15-14-10-7-6-8-13(14)11-12-16(15)20-17(19)18(2)3/h6-8,10-12H,4-5,9H2,1-3H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390521
PNG
(CHEMBL2071648)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C(=O)N(C)C
Show InChI InChI=1S/C16H17BrN2O3/c1-18(2)15(20)11-5-7-12-10(9-11)6-8-13(14(12)17)22-16(21)19(3)4/h5-9H,1-4H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390545
PNG
(CHEMBL2071638)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1C(C)=O
Show InChI InChI=1S/C15H15NO3/c1-10(17)14-12-7-5-4-6-11(12)8-9-13(14)19-15(18)16(2)3/h4-9H,1-3H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390525
PNG
(CHEMBL2071644)
Show SMILES CN(C)C(=O)Oc1ccc2cc(ccc2c1Br)C(=O)NC1CC1
Show InChI InChI=1S/C17H17BrN2O3/c1-20(2)17(22)23-14-8-4-10-9-11(3-7-13(10)15(14)18)16(21)19-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,19,21)
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390534
PNG
(CHEMBL2071636)
Show SMILES CC(C)c1c(OC(=O)N(C)C)ccc2ccccc12
Show InChI InChI=1S/C16H19NO2/c1-11(2)15-13-8-6-5-7-12(13)9-10-14(15)19-16(18)17(3)4/h5-11H,1-4H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390538
PNG
(CHEMBL2071632)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1C
Show InChI InChI=1S/C14H15NO2/c1-10-12-7-5-4-6-11(12)8-9-13(10)17-14(16)15(2)3/h4-9H,1-3H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390539
PNG
(CHEMBL2071631)
Show SMILES CN(C)C(=O)Oc1ccc(C)c(C)c1Br
Show InChI InChI=1S/C11H14BrNO2/c1-7-5-6-9(10(12)8(7)2)15-11(14)13(3)4/h5-6H,1-4H3
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390510
PNG
(CHEMBL2071659)
Show SMILES Brc1c(OC(=O)NCc2ccccc2)ccc2ccccc12
Show InChI InChI=1S/C18H14BrNO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)22-18(21)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21)
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390511
PNG
(CHEMBL2071658)
Show SMILES CC(C)NC(=O)Oc1ccc2ccccc2c1Br
Show InChI InChI=1S/C14H14BrNO2/c1-9(2)16-14(17)18-12-8-7-10-5-3-4-6-11(10)13(12)15/h3-9H,1-2H3,(H,16,17)
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n/an/a 2.80E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390527
PNG
(CHEMBL2071642)
Show SMILES CNC(=O)c1ccc2c(Br)c(OC(=O)N(C)C)ccc2c1
Show InChI InChI=1S/C15H15BrN2O3/c1-17-14(19)10-4-6-11-9(8-10)5-7-12(13(11)16)21-15(20)18(2)3/h4-8H,1-3H3,(H,17,19)
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n/an/a 2.90E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390512
PNG
(CHEMBL2071657)
Show SMILES CCCCNC(=O)Oc1ccc2ccccc2c1Br
Show InChI InChI=1S/C15H16BrNO2/c1-2-3-10-17-15(18)19-13-9-8-11-6-4-5-7-12(11)14(13)16/h4-9H,2-3,10H2,1H3,(H,17,18)
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n/an/a 3.70E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390509
PNG
(CHEMBL2069332)
Show SMILES Brc1c(OC(=O)N2CCCCC2)ccc2ccccc12
Show InChI InChI=1S/C16H16BrNO2/c17-15-13-7-3-2-6-12(13)8-9-14(15)20-16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2
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n/an/a 4.20E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390542
PNG
(CHEMBL2071628)
Show SMILES CN(C)C(=O)Oc1cc2ccccc2cc1Br
Show InChI InChI=1S/C13H12BrNO2/c1-15(2)13(16)17-12-8-10-6-4-3-5-9(10)7-11(12)14/h3-8H,1-2H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390533
PNG
(CHEMBL2071637)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1N
Show InChI InChI=1S/C13H14N2O2/c1-15(2)13(16)17-11-8-7-9-5-3-4-6-10(9)12(11)14/h3-8H,14H2,1-2H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390540
PNG
(CHEMBL2071630)
Show SMILES CN(C)C(=O)Oc1ccccc1Br
Show InChI InChI=1S/C9H10BrNO2/c1-11(2)9(12)13-8-6-4-3-5-7(8)10/h3-6H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390531
PNG
(CHEMBL2071639)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1C#N
Show InChI InChI=1S/C14H12N2O2/c1-16(2)14(17)18-13-8-7-10-5-3-4-6-11(10)12(13)9-15/h3-8H,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))		BDBM50390543
PNG
(CHEMBL2071627)
Show SMILES CN(C)C(=O)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C13H13NO2/c1-14(2)13(15)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human KIAA1363 expressed in 293T/17 cells using 2-thioacetyl MAGE as substrate preincubated for 20 mins measured after 1 hr

Bioorg Med Chem Lett 22: 5748-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.102
BindingDB Entry DOI: 10.7270/Q27S7PTD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%