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Compile Data Set for Download or QSAR

Found 843 hits of ic50 data for polymerid = 339   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))
BDBM130206
PNG
(US8815881, 168)
Show SMILES CN1C(N)=N[C@](C)(c2cc(Nc3ccc(cc3Cl)C#N)ccc2F)C(C)(C)C1=O
Show InChI InChI=1S/C21H21ClFN5O/c1-20(2)18(29)28(4)19(25)27-21(20,3)14-10-13(6-7-16(14)23)26-17-8-5-12(11-24)9-15(17)22/h5-10,26H,1-4H3,(H2,25,27)/t21-/m1/s1
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n/an/a 14n/an/an/an/an/a4



Hoffmann-La Roche Inc.; Siena Biotech S.p.A.

US Patent


Assay Description
BACE2 enzyme ectodomain (derived from plasmid pET17b-T7-hu proBACE2) was prepared as described in Ostermann et al., Crystal Structure of Human BACE2 ...


US Patent US8815881 (2014)


BindingDB Entry DOI: 10.7270/Q2NZ86B5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432598
PNG
(CHEMBL2347210)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C17H14ClF3N4O2/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116248
PNG
(US10035794, Example 25 | US8637508, 25)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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n/an/a 15n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116248
PNG
(US10035794, Example 25 | US8637508, 25)
Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C20H21F4N5O3/c1-10-7-11(31-4)8-26-14(10)16(30)28-13-6-5-12(21)15(27-13)18(2)9-32-19(3,17(25)29-18)20(22,23)24/h5-8H,9H2,1-4H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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n/an/a 15n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US8637508 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VFD
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
Beta-secretase 2


(Homo sapiens (Human))
BDBM338838
PNG
(US9751886, Compound 3)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nncc2C(N)=N1
Show InChI InChI=1S/C18H17FN8O2/c1-18(9-27-14(7-23-26-27)16(20)25-18)11-5-10(3-4-12(11)19)24-17(28)13-6-22-15(29-2)8-21-13/h3-8H,9H2,1-2H3,(H2,20,25)(H,24,28)/t18-/m0/s1
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n/an/a 15.5n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
This assay is a Fluorescence Resonance Energy Transfer Assay (FRET) based assay. The substrate for this assay contains the ┐Swedish┐ Lys-Met/Asn-Leu ...


US Patent US9751886 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM338842
PNG
(US9751886, Compound 7)
Show SMILES C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F
Show InChI InChI=1S/C19H17F2N7O2/c1-19(9-28-16(8-24-27-28)17(22)26-19)13-6-11(2-4-14(13)21)25-18(29)15-5-3-12(7-23-15)30-10-20/h2-8H,9-10H2,1H3,(H2,22,26)(H,25,29)/t19-/m0/s1
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n/an/a 16.6n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
This assay is a Fluorescence Resonance Energy Transfer Assay (FRET) based assay. The substrate for this assay contains the ┐Swedish┐ Lys-Met/Asn-Leu ...


US Patent US9751886 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432611
PNG
(CHEMBL2347201)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F
Show InChI InChI=1S/C16H14F5N5O2/c1-15(16(20,21)7-28-14(22)24-15)9-6-8(2-3-10(9)17)23-12(27)11-4-5-26(25-11)13(18)19/h2-6,13H,7H2,1H3,(H2,22,24)(H,23,27)/t15-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352872
PNG
(CHEMBL1824341)
Show SMILES CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C23H25FN6O/c1-15(2)9-11-30-14-18(13-27-30)23(21(31)29(3)22(25)28-23)17-7-4-6-16(12-17)19-8-5-10-26-20(19)24/h4-8,10,12-15H,9,11H2,1-3H3,(H2,25,28)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM202615
PNG
(US9242943, 24)
Show SMILES CC1(COCC(N)=N1)c1cccc(Nc2cccc3cc(Cl)cnc23)c1
Show InChI InChI=1S/C20H19ClN4O/c1-20(12-26-11-18(22)25-20)14-5-3-6-16(9-14)24-17-7-2-4-13-8-15(21)10-23-19(13)17/h2-10,24H,11-12H2,1H3,(H2,22,25)
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n/an/a 18n/an/an/an/an/an/a



SIENA BIOTECH S.P.A.; HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US9242943 (2016)


BindingDB Entry DOI: 10.7270/Q2833QV5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50374253
PNG
(CHEMBL403195)
Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1
Show InChI InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 418-22 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116233
PNG
(US10035794, Example 8 | US8637508, 8)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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n/an/a 20n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50305468
PNG
(CHEMBL590829 | N-(3-(2-amino-4-cyclohexyl-1-methyl...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2ccco2)c1
Show InChI InChI=1S/C21H24N4O3/c1-25-19(27)21(24-20(25)22,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-18(26)17-11-6-12-28-17/h5-6,9-14H,2-4,7-8H2,1H3,(H2,22,24)(H,23,26)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 by FRET assay


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50314607
PNG
(2-amino-4-(3'-methoxybiphenyl-3-yl)-1-methyl-4-(py...)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1
Show InChI InChI=1S/C22H20N4O2/c1-26-20(27)22(25-21(26)23,17-9-11-24-12-10-17)18-7-3-5-15(13-18)16-6-4-8-19(14-16)28-2/h3-14H,1-2H3,(H2,23,25)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 20: 2326-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.136
BindingDB Entry DOI: 10.7270/Q28C9WDF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352861
PNG
(CHEMBL1824139)
Show SMILES CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H25N7O/c1-15(2)7-8-29-13-19(12-26-29)22(20(30)28(3)21(23)27-22)18-6-4-5-16(9-18)17-10-24-14-25-11-17/h4-6,9-15H,7-8H2,1-3H3,(H2,23,27)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM160676
PNG
(US9045498, 18)
Show SMILES COC[C@@H](C)NCc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)c1cnn(C)c1
Show InChI InChI=1S/C22H30FN5O2S/c1-14(11-29-3)25-8-15-4-5-19(23)18(6-15)22-13-30-20(16-9-26-28(2)10-16)7-17(22)12-31-21(24)27-22/h4-6,9-10,14,17,20,25H,7-8,11-13H2,1-3H3,(H2,24,27)/t14-,17+,20-,22+/m1/s1
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n/an/a 20n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
This assay measures the inhibition of the BACE2 enzyme as it cleaves a non-native peptide. A synthetic substrate that can be cleaved by BACE2 having ...


US Patent US9045498 (2015)


BindingDB Entry DOI: 10.7270/Q2W094PQ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352847
PNG
(CHEMBL1824358)
Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1
Show InChI InChI=1S/C20H18N4O2S/c1-24-18(25)20(23-19(24)21,16-6-7-27-12-16)15-5-3-4-13(8-15)14-9-17(26-2)11-22-10-14/h3-12H,1-2H3,(H2,21,23)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352873
PNG
(CHEMBL1824342)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C24H27FN6O/c1-23(2,3)10-12-31-15-18(14-28-31)24(21(32)30(4)22(26)29-24)17-8-5-7-16(13-17)19-9-6-11-27-20(19)25/h5-9,11,13-15H,10,12H2,1-4H3,(H2,26,29)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116233
PNG
(US10035794, Example 8 | US8637508, 8)
Show SMILES Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show InChI InChI=1S/C20H19F3N6O2/c1-11-7-12(8-24)9-26-15(11)16(30)28-14-6-4-5-13(27-14)18(2)10-31-19(3,17(25)29-18)20(21,22)23/h4-7,9H,10H2,1-3H3,(H2,25,29)(H,27,28,30)/t18-,19+/m0/s1
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n/an/a 20n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US8637508 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VFD
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM124148
PNG
(US8754075, 18)
Show SMILES Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)OC[C@@H]2F)c(C)o1
Show InChI InChI=1S/C18H19F2N3O3/c1-9-6-12(10(2)26-9)16(24)22-11-4-5-14(19)13(7-11)18(3)15(20)8-25-17(21)23-18/h4-7,15H,8H2,1-3H3,(H2,21,23)(H,22,24)/t15-,18+/m0/s1
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n/an/a 20n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352865
PNG
(CHEMBL1824143)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CCC2CCCCC2)c1)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C25H29N7O/c1-31-23(33)25(30-24(31)26,21-9-5-8-19(12-21)20-13-27-17-28-14-20)22-15-29-32(16-22)11-10-18-6-3-2-4-7-18/h5,8-9,12-18H,2-4,6-7,10-11H2,1H3,(H2,26,30)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM130215
PNG
(US8815881, 150)
Show SMILES COc1ccc(Cl)cc1Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)C(=O)C1(C)C
Show InChI InChI=1S/C21H24ClFN4O2/c1-20(2)18(28)27(4)19(24)26-21(20,3)14-11-13(7-8-15(14)23)25-16-10-12(22)6-9-17(16)29-5/h6-11,25H,1-5H3,(H2,24,26)/t21-/m1/s1
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n/an/a 21n/an/an/an/an/a4



Hoffmann-La Roche Inc.; Siena Biotech S.p.A.

US Patent


Assay Description
BACE2 enzyme ectodomain (derived from plasmid pET17b-T7-hu proBACE2) was prepared as described in Ostermann et al., Crystal Structure of Human BACE2 ...


US Patent US8815881 (2014)


BindingDB Entry DOI: 10.7270/Q2NZ86B5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432608
PNG
(CHEMBL2347204 | US8754075, 4)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C18H15F2N5O2/c1-18(15(20)9-27-17(22)25-18)12-6-11(3-4-13(12)19)24-16(26)14-5-2-10(7-21)8-23-14/h2-6,8,15H,9H2,1H3,(H2,22,25)(H,24,26)/t15-,18+/m0/s1
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n/an/a 21n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432629
PNG
(CHEMBL2347214)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C17H14F4N4O2/c1-16(17(20,21)8-27-15(22)25-16)11-6-10(3-4-12(11)19)24-14(26)13-5-2-9(18)7-23-13/h2-7H,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50393887
PNG
(CHEMBL2158257)
Show SMILES CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O
Show InChI InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22-,24+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Medivir AB

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 22: 6721-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.097
BindingDB Entry DOI: 10.7270/Q2MS3TVD
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50271626
PNG
(CHEMBL509210 | N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxop...)
Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O
Show InChI InChI=1S/C35H42F2N4O4/c1-4-12-40(13-5-2)34(44)27-16-23(3)15-26(20-27)33(43)39-30(19-25-17-28(36)21-29(37)18-25)32(42)31-35(45)41(14-11-38-31)22-24-9-7-6-8-10-24/h6-10,15-18,20-21,30-32,38,42H,4-5,11-14,19,22H2,1-3H3,(H,39,43)/t30-,31-,32-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 3236-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.050
BindingDB Entry DOI: 10.7270/Q2PZ58MR
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432618
PNG
(CHEMBL2347194)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F
Show InChI InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)10-4-9(2-3-11(10)18)24-13(26)12-22-5-8(17)6-23-12/h2-6H,7H2,1H3,(H2,21,25)(H,24,26)/t15-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM124167
PNG
(US8754075, 38)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C19H17F2N5O2/c1-18(21)10-28-17(23)26-19(18,2)13-7-12(4-5-14(13)20)25-16(27)15-6-3-11(8-22)9-24-15/h3-7,9H,10H2,1-2H3,(H2,23,26)(H,25,27)/t18-,19+/m0/s1
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n/an/a 23n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM124145
PNG
(US8754075, 15)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F
Show InChI InChI=1S/C17H15F4N5O2/c1-17(13(19)7-28-16(22)26-17)9-4-8(2-3-10(9)18)25-15(27)12-6-23-11(5-24-12)14(20)21/h2-6,13-14H,7H2,1H3,(H2,22,26)(H,25,27)/t13-,17+/m0/s1
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n/an/a 23n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432628
PNG
(CHEMBL2347215)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116252
PNG
(US10035794, Example 29 | US8637508, 29)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
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n/an/a 24n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM123857
PNG
(US8748418, 1)
Show SMILES C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C20H21ClF2N4O/c1-20(17(23)9-28-10-18(24)27-20)14-7-13(3-4-15(14)22)26-16-5-2-11-6-12(21)8-25-19(11)16/h3-4,6-8,16-17,26H,2,5,9-10H2,1H3,(H2,24,27)/t16?,17-,20+/m0/s1
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n/an/a 24n/an/an/an/a4.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...


US Patent US8748418 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JJP
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116252
PNG
(US10035794, Example 29 | US8637508, 29)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O3/c1-9-6-10(34-17(22)23)7-28-13(9)15(32)30-12-5-4-11(21)14(29-12)18(2)8-33-19(3,16(27)31-18)20(24,25)26/h4-7,17H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
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n/an/a 24n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US8637508 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VFD
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116253
PNG
(US10035794, Example 30 | US8637508, 30)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1
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n/an/a 24n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US8637508 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VFD
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116253
PNG
(US10035794, Example 30 | US8637508, 30)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F
Show InChI InChI=1S/C19H16ClF6N5O3/c1-17(7-33-18(2,15(27)31-17)19(24,25)26)13-10(21)3-4-11(29-13)30-14(32)12-9(20)5-8(6-28-12)34-16(22)23/h3-6,16H,7H2,1-2H3,(H2,27,31)(H,29,30,32)/t17-,18+/m0/s1
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n/an/a 24n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213734
PNG
(US9284284, 25)
Show SMILES COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F
Show InChI InChI=1S/C19H20F4N4O2/c1-17(10-29-18(2,16(24)27-17)19(21,22)23)12-9-11(6-7-13(12)20)26-15-14(28-3)5-4-8-25-15/h4-9H,10H2,1-3H3,(H2,24,27)(H,25,26)/t17-,18+/m0/s1
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n/an/a 27n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM186072
PNG
(US9163011, 26)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F
Show InChI InChI=1S/C17H14ClF4N5O3/c1-16(17(21,22)6-29-15(23)27-16)13-10(20)2-3-11(25-13)26-14(28)12-9(18)4-8(5-24-12)30-7-19/h2-5H,6-7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 27n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9163011 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MV1
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM29777
PNG
(7,6,5 tricyclic sulfonamide, 15 | BMCL193674 Compo...)
Show SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F
Show InChI InChI=1S/C27H33F3N4O4S/c1-3-19-17-34-11-12-39(37,38)33(2)23-15-20(14-21(19)25(23)34)26(36)32-22(13-18-7-5-4-6-8-18)24(35)16-31-10-9-27(28,29)30/h4-8,14-15,17,22,24,31,35H,3,9-13,16H2,1-2H3,(H,32,36)/t22-,24+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



GSK



Assay Description
Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...


Bioorg Med Chem Lett 19: 3669-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.150
BindingDB Entry DOI: 10.7270/Q29885BR
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM123869
PNG
(US8748418, 14)
Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCc4cc(Cl)cnc34)ccc2F)C1(F)F
Show InChI InChI=1S/C22H24ClF3N4O/c1-20(2)22(25,26)21(3,30-18(27)11-31-20)15-9-14(5-6-16(15)24)29-17-7-4-12-8-13(23)10-28-19(12)17/h5-6,8-10,17,29H,4,7,11H2,1-3H3,(H2,27,30)/t17?,21-/m1/s1
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n/an/a 28n/an/an/an/a4.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...


US Patent US8748418 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JJP
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM29777
PNG
(7,6,5 tricyclic sulfonamide, 15 | BMCL193674 Compo...)
Show SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F
Show InChI InChI=1S/C27H33F3N4O4S/c1-3-19-17-34-11-12-39(37,38)33(2)23-15-20(14-21(19)25(23)34)26(36)32-22(13-18-7-5-4-6-8-18)24(35)16-31-10-9-27(28,29)30/h4-8,14-15,17,22,24,31,35H,3,9-13,16H2,1-2H3,(H,32,36)/t22-,24+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



GSK



Assay Description
Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...


Bioorg Med Chem Lett 19: 3674-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.149
BindingDB Entry DOI: 10.7270/Q25H7DKK
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50360723
PNG
(CHEMBL1934295)
Show SMILES Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1
Show InChI InChI=1S/C30H38ClN3O/c31-28-14-13-24-26(33-28)12-7-16-30(24)20-32-19-25(30)29(35)34-17-15-23(21-8-3-1-4-9-21)18-27(34)22-10-5-2-6-11-22/h1,3-4,8-9,13-14,22-23,25,27,32H,2,5-7,10-12,15-20H2/t23-,25+,27+,30+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 22: 240-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.024
BindingDB Entry DOI: 10.7270/Q2QR4XJK
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432627
PNG
(CHEMBL2347363)
Show SMILES Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F
Show InChI InChI=1S/C18H17F3N4O2/c1-10-3-6-14(23-8-10)15(26)24-11-4-5-13(19)12(7-11)17(2)18(20,21)9-27-16(22)25-17/h3-8H,9H2,1-2H3,(H2,22,25)(H,24,26)/t17-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50398767
PNG
(CHEMBL2180037)
Show SMILES CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CC1
Show InChI InChI=1S/C21H20N4/c1-3-5-15-10-17(13-23-12-15)16-6-4-7-19(11-16)21(18-8-9-18)24-14(2)20(22)25-21/h4,6-7,10-13,18H,8-9H2,1-2H3,(H2,22,25)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by T...


J Med Chem 55: 9297-311 (2012)


Article DOI: 10.1021/jm300991n
BindingDB Entry DOI: 10.7270/Q2HH6M79
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM213718
PNG
(US9284284, 9)
Show SMILES NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F
Show InChI InChI=1S/C20H15F3N6O/c21-15-2-1-13(6-14(15)20(19(22)23)10-30-9-16(25)29-20)28-18-17-12(3-4-26-18)5-11(7-24)8-27-17/h1-6,8,19H,9-10H2,(H2,25,29)(H,26,28)/t20-/m0/s1
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n/an/a 30n/an/an/an/a4.525



NOVARTIS AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...


US Patent US9284284 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QP0
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM123864
PNG
(US8748418, 8)
Show SMILES C[C@@]1(N=C(N)COCC1(F)F)c1cc(N[C@H]2CCc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C20H20ClF3N4O/c1-19(20(23,24)10-29-9-17(25)28-19)14-7-13(3-4-15(14)22)27-16-5-2-11-6-12(21)8-26-18(11)16/h3-4,6-8,16,27H,2,5,9-10H2,1H3,(H2,25,28)/t16-,19+/m0/s1
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n/an/a 30n/an/an/an/a4.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...


US Patent US8748418 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JJP
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50305469
PNG
(CHEMBL590830 | N-(3-(2-amino-4-cyclohexyl-1-methyl...)
Show SMILES CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1
Show InChI InChI=1S/C22H26N4O3/c1-14-11-12-29-18(14)19(27)24-17-10-6-9-16(13-17)22(15-7-4-3-5-8-15)20(28)26(2)21(23)25-22/h6,9-13,15H,3-5,7-8H2,1-2H3,(H2,23,25)(H,24,27)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 by FRET assay


Bioorg Med Chem Lett 20: 632-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.052
BindingDB Entry DOI: 10.7270/Q20Z73BN
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352862
PNG
(CHEMBL1824140)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C23H27N7O/c1-22(2,3)8-9-30-14-19(13-27-30)23(20(31)29(4)21(24)28-23)18-7-5-6-16(10-18)17-11-25-15-26-12-17/h5-7,10-15H,8-9H2,1-4H3,(H2,24,28)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116257
PNG
(US10035794, Example 34 | US8637508, 34)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F
Show InChI InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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n/an/a 30n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US8637508 (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VFD
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM116257
PNG
(US10035794, Example 34 | US8637508, 34)
Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F
Show InChI InChI=1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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n/an/a 30n/an/an/an/a4.525



Novartis AG

US Patent


Assay Description
Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 10 nM concentrations is incubated w...


US Patent US10035794 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM124169
PNG
(US8754075, 40)
Show SMILES C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F
Show InChI InChI=1S/C17H16ClF4N5O2/c1-16(22)7-29-15(23)25-17(16,2)9-5-8(3-4-11(9)19)24-13(28)12-10(18)6-27(26-12)14(20)21/h3-6,14H,7H2,1-2H3,(H2,23,25)(H,24,28)/t16-,17+/m0/s1
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n/an/a 31n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
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