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29 similar compounds to monomer 50032731

Compile data set for download or QSAR
Wt: 359.3
BDBM50398286
Wt: 377.3
BDBM50398296
Wt: 360.3
BDBM50398302
Wt: 377.3
BDBM50398303
Wt: 360.3
BDBM50398307
Wt: 388.4
BDBM50398310
Wt: 402.4
BDBM50398311
Wt: 360.3
BDBM50398313
Wt: 447.4
BDBM50032743
Wt: 416.4
BDBM50031612
Wt: 447.4
BDBM50032742
Wt: 415.4
BDBM50032728
Wt: 433.4
BDBM50032729
Wt: 440.4
BDBM50032730
Wt: 445.5
BDBM50032732
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 52 hits for monomerid = 50398286,50398296,50398302,50398303,50398307,50398310,50398311,50398313,50032743,50031612,50032742,50032728,50032729,50032730,50032732   
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))
BDBM50032730
PNG
(CHEMBL3354706)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N
Show InChI InChI=1S/C26H24N4O3/c1-25(2,3)14-31-19-5-7-23-21(10-19)26(15-32-24(28)30-26)20-9-17(4-6-22(20)33-23)18-8-16(11-27)12-29-13-18/h4-10,12-13H,14-15H2,1-3H3,(H2,28,30)/t26-/m0/s1
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145n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032729
PNG
(CHEMBL3354705)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1
Show InChI InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-17-6-8-21-19(11-17)25(14-31-23(27)29-25)18-10-15(4-7-20(18)32-21)16-5-9-22(26)28-12-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1
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259n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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660n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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660n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells assessed as [3H]-dofetilide binding after 90 mins by liquid scintillation counting analysis


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032728
PNG
(CHEMBL3354704)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1
Show InChI InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-7-9-22-20(12-18)25(15-30-23(26)28-25)19-11-16(6-8-21(19)31-22)17-5-4-10-27-13-17/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1
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797n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50398311
PNG
(CHEMBL2177343)
Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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1.84E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50032732
PNG
(CHEMBL3354708)
Show SMILES COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1S/C26H27N3O4/c1-25(2,3)14-31-18-6-8-23-21(11-18)26(15-32-24(27)29-26)20-10-16(5-7-22(20)33-23)17-9-19(30-4)13-28-12-17/h5-13H,14-15H2,1-4H3,(H2,27,29)/t26-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398307
PNG
(CHEMBL2177340)
Show SMILES COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m0/s1
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n/an/a 107n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398302
PNG
(CHEMBL2177339)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)
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n/an/a 410n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398286
PNG
(CHEMBL2177338)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O3/c1-25-15-3-5-19-17(11-15)21(12-26-20(22)24-21)16-10-14(2-4-18(16)27-19)13-6-8-23-9-7-13/h2-11H,12H2,1H3,(H2,22,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398303
PNG
(CHEMBL2177336)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F
Show InChI InChI=1S/C21H16FN3O3/c1-26-13-3-5-19-16(9-13)21(11-27-20(23)25-21)15-8-12(2-4-18(15)28-19)14-10-24-7-6-17(14)22/h2-10H,11H2,1H3,(H2,23,25)
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n/an/a 900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398311
PNG
(CHEMBL2177343)
Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398310
PNG
(CHEMBL2177342)
Show SMILES CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398302
PNG
(CHEMBL2177339)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)
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n/an/a 1.43E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398307
PNG
(CHEMBL2177340)
Show SMILES COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m0/s1
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n/an/a 534n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398311
PNG
(CHEMBL2177343)
Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032728
PNG
(CHEMBL3354704)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1
Show InChI InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-7-9-22-20(12-18)25(15-30-23(26)28-25)19-11-16(6-8-21(19)31-22)17-5-4-10-27-13-17/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032729
PNG
(CHEMBL3354705)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1
Show InChI InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-17-6-8-21-19(11-17)25(14-31-23(27)29-25)18-10-15(4-7-20(18)32-21)16-5-9-22(26)28-12-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032730
PNG
(CHEMBL3354706)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N
Show InChI InChI=1S/C26H24N4O3/c1-25(2,3)14-31-19-5-7-23-21(10-19)26(15-32-24(28)30-26)20-9-17(4-6-22(20)33-23)18-8-16(11-27)12-29-13-18/h4-10,12-13H,14-15H2,1-3H3,(H2,28,30)/t26-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032732
PNG
(CHEMBL3354708)
Show SMILES COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1S/C26H27N3O4/c1-25(2,3)14-31-18-6-8-23-21(11-18)26(15-32-24(27)29-26)20-10-16(5-7-22(20)33-23)17-9-19(30-4)13-28-12-17/h5-13H,14-15H2,1-4H3,(H2,27,29)/t26-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032742
PNG
(CHEMBL3354713)
Show SMILES CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1
Show InChI InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-8-19-22(20(26)9-17)33-21-5-4-15(16-3-2-6-28-10-16)7-18(21)25(19)14-32-23(27)29-25/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032743
PNG
(CHEMBL3354714)
Show SMILES CC1(COc2ccc3Oc4c(F)cc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1
Show InChI InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-4-5-21-18(9-17)25(14-32-23(27)29-25)19-7-16(8-20(26)22(19)33-21)15-3-2-6-28-10-15/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398311
PNG
(CHEMBL2177343)
Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032728
PNG
(CHEMBL3354704)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1
Show InChI InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-7-9-22-20(12-18)25(15-30-23(26)28-25)19-11-16(6-8-21(19)31-22)17-5-4-10-27-13-17/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032729
PNG
(CHEMBL3354705)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1
Show InChI InChI=1S/C25H24FN3O3/c1-24(2,3)13-30-17-6-8-21-19(11-17)25(14-31-23(27)29-25)18-10-15(4-7-20(18)32-21)16-5-9-22(26)28-12-16/h4-12H,13-14H2,1-3H3,(H2,27,29)/t25-/m0/s1
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n/an/a 113n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032730
PNG
(CHEMBL3354706)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N
Show InChI InChI=1S/C26H24N4O3/c1-25(2,3)14-31-19-5-7-23-21(10-19)26(15-32-24(28)30-26)20-9-17(4-6-22(20)33-23)18-8-16(11-27)12-29-13-18/h4-10,12-13H,14-15H2,1-3H3,(H2,28,30)/t26-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032732
PNG
(CHEMBL3354708)
Show SMILES COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1S/C26H27N3O4/c1-25(2,3)14-31-18-6-8-23-21(11-18)26(15-32-24(27)29-26)20-10-16(5-7-22(20)33-23)17-9-19(30-4)13-28-12-17/h5-13H,14-15H2,1-4H3,(H2,27,29)/t26-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032742
PNG
(CHEMBL3354713)
Show SMILES CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1
Show InChI InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-8-19-22(20(26)9-17)33-21-5-4-15(16-3-2-6-28-10-16)7-18(21)25(19)14-32-23(27)29-25/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50032743
PNG
(CHEMBL3354714)
Show SMILES CC1(COc2ccc3Oc4c(F)cc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1
Show InChI InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-17-4-5-21-18(9-17)25(14-32-23(27)29-25)19-7-16(8-20(26)22(19)33-21)15-3-2-6-28-10-15/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m1/s1
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n/an/a 178n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA


J Med Chem 57: 9796-810 (2014)


Article DOI: 10.1021/jm501266w
BindingDB Entry DOI: 10.7270/Q28S4RHC
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D (unknown origin)


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E (unknown origin)


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells assessed as Abeta40 level after overnight incubation by sandwich ELISA


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) incubated for 60 mins prior to substrate addition measured after 60 mins by fluorescence assay


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 (unknown origin)


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50031612
PNG
(CHEMBL3354688)
Show SMILES CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of renin (unknown origin)


J Med Chem 57: 9811-31 (2014)


Article DOI: 10.1021/jm5012676
BindingDB Entry DOI: 10.7270/Q20G3MRW
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398313
PNG
(CHEMBL2177341)
Show SMILES COc1ccc2Oc3ccc(cc3[C@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398286
PNG
(CHEMBL2177338)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O3/c1-25-15-3-5-19-17(11-15)21(12-26-20(22)24-21)16-10-14(2-4-18(16)27-19)13-6-8-23-9-7-13/h2-11H,12H2,1H3,(H2,22,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398303
PNG
(CHEMBL2177336)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F
Show InChI InChI=1S/C21H16FN3O3/c1-26-13-3-5-19-16(9-13)21(11-27-20(23)25-21)15-8-12(2-4-18(15)28-19)14-10-24-7-6-17(14)22/h2-10H,11H2,1H3,(H2,23,25)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398302
PNG
(CHEMBL2177339)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)
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n/an/a 3.70E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398307
PNG
(CHEMBL2177340)
Show SMILES COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m0/s1
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n/an/a 2.97E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398296
PNG
(CHEMBL2177335)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccnc1F
Show InChI InChI=1S/C21H16FN3O3/c1-26-13-5-7-18-16(10-13)21(11-27-20(23)25-21)15-9-12(4-6-17(15)28-18)14-3-2-8-24-19(14)22/h2-10H,11H2,1H3,(H2,23,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398310
PNG
(CHEMBL2177342)
Show SMILES CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1
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n/an/a 9.12E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398313
PNG
(CHEMBL2177341)
Show SMILES COc1ccc2Oc3ccc(cc3[C@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C20H16N4O3/c1-25-14-3-5-18-16(7-14)20(10-26-19(21)24-20)15-6-12(2-4-17(15)27-18)13-8-22-11-23-9-13/h2-9,11H,10H2,1H3,(H2,21,24)/t20-/m1/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398303
PNG
(CHEMBL2177336)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F
Show InChI InChI=1S/C21H16FN3O3/c1-26-13-3-5-19-16(9-13)21(11-27-20(23)25-21)15-8-12(2-4-18(15)28-19)14-10-24-7-6-17(14)22/h2-10H,11H2,1H3,(H2,23,25)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398310
PNG
(CHEMBL2177342)
Show SMILES CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C22H20N4O3/c1-2-7-27-16-4-6-20-18(9-16)22(12-28-21(23)26-22)17-8-14(3-5-19(17)29-20)15-10-24-13-25-11-15/h3-6,8-11,13H,2,7,12H2,1H3,(H2,23,26)/t22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398311
PNG
(CHEMBL2177343)
Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398286
PNG
(CHEMBL2177338)
Show SMILES COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O3/c1-25-15-3-5-19-17(11-15)21(12-26-20(22)24-21)16-10-14(2-4-18(16)27-19)13-6-8-23-9-7-13/h2-11H,12H2,1H3,(H2,22,24)
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n/an/a 2.82E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human HEK293 cells expressing APP Swedish mutant assessed as reduction in amyloid beta 40 production after overnight incubatio...


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50398311
PNG
(CHEMBL2177343)
Show SMILES CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
Show InChI InChI=1S/C23H22N4O3/c1-14(2)11-28-17-4-6-21-19(8-17)23(12-29-22(24)27-23)18-7-15(3-5-20(18)30-21)16-9-25-13-26-10-16/h3-10,13-14H,11-12H2,1-2H3,(H2,24,27)/t23-/m0/s1
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n/an/a 4.47E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


J Med Chem 55: 9156-69 (2012)


Article DOI: 10.1021/jm300598e
BindingDB Entry DOI: 10.7270/Q2S46T3P
More data for this
Ligand-Target Pair
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