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21 similar compounds to monomer 50352872

Compile data set for download or QSAR
Wt: 378.4
BDBM50352850
Wt: 378.4
BDBM50352852
Wt: 432.3
BDBM50352853
Wt: 361.4
BDBM50352856
Wt: 379.3
BDBM50352857
Wt: 433.3
BDBM50352858
Wt: 393.4
BDBM50352859
Wt: 389.4
BDBM50352860
Wt: 403.4
BDBM50352861
Wt: 417.5
BDBM50352862
Wt: 389.4
BDBM50352863
Wt: 401.4
BDBM50352864
Wt: 443.5
BDBM50352865
Wt: 396.3
BDBM50352868
Wt: 396.3
BDBM50352869
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 63 hits for monomerid = 50352850,50352852,50352853,50352856,50352857,50352858,50352859,50352860,50352861,50352862,50352863,50352864,50352865,50352868,50352869   
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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352850
PNG
(CHEMBL1824335)
Show SMILES CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1
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n/an/a 450n/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))
BDBM50352869
PNG
(CHEMBL1824337)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CCF)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26)
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n/an/a 650n/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 1


(Homo sapiens (Human))
BDBM50352852
PNG
(CHEMBL1824145)
Show SMILES CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352850
PNG
(CHEMBL1824335)
Show SMILES CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1
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n/an/an/an/a 490n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352860
PNG
(CHEMBL1824138)
Show SMILES CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H23N7O/c1-14(2)11-28-12-18(10-25-28)21(19(29)27(3)20(22)26-21)17-6-4-5-15(7-17)16-8-23-13-24-9-16/h4-10,12-14H,11H2,1-3H3,(H2,22,26)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352850
PNG
(CHEMBL1824335)
Show SMILES CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1
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n/an/an/an/a>2.50E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352858
PNG
(CHEMBL1824136)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H15F4N7O/c1-29-16(31)19(28-17(29)24,13-7-27-30(8-13)9-18(21,22)23)12-2-3-15(20)14(4-12)11-5-25-10-26-6-11/h2-8,10H,9H2,1H3,(H2,24,28)
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n/an/an/an/a 900n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352859
PNG
(CHEMBL1824137)
Show SMILES CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352853
PNG
(CHEMBL1824338)
Show SMILES CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/m0/s1
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n/an/an/an/a 430n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(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/an/an/a 300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352868
PNG
(CHEMBL1824336)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F
Show InChI InChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26)
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n/an/an/an/a 420n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352863
PNG
(CHEMBL1824141)
Show SMILES CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)
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n/an/an/an/a 700n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352869
PNG
(CHEMBL1824337)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CCF)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26)
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n/an/an/an/a 1.17E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(Homo sapiens (Human))
BDBM50352856
PNG
(CHEMBL1824134)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352857
PNG
(CHEMBL1824135)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25)
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n/an/an/an/a 600n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA 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 1


(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 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352850
PNG
(CHEMBL1824335)
Show SMILES CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(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 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352868
PNG
(CHEMBL1824336)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F
Show InChI InChI=1S/C20H18F2N6O/c1-3-28-11-13(10-25-28)20(18(29)27(2)19(23)26-20)12-6-7-16(21)15(9-12)14-5-4-8-24-17(14)22/h4-11H,3H2,1-2H3,(H2,23,26)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352863
PNG
(CHEMBL1824141)
Show SMILES CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352869
PNG
(CHEMBL1824337)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CCF)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H18F2N6O/c1-27-18(29)20(26-19(27)23,15-11-25-28(12-15)9-7-21)14-5-2-4-13(10-14)16-6-3-8-24-17(16)22/h2-6,8,10-12H,7,9H2,1H3,(H2,23,26)
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n/an/a 50n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352853
PNG
(CHEMBL1824338)
Show SMILES CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352857
PNG
(CHEMBL1824135)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352858
PNG
(CHEMBL1824136)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H15F4N7O/c1-29-16(31)19(28-17(29)24,13-7-27-30(8-13)9-18(21,22)23)12-2-3-15(20)14(4-12)11-5-25-10-26-6-11/h2-8,10H,9H2,1H3,(H2,24,28)
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352859
PNG
(CHEMBL1824137)
Show SMILES CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26)
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352860
PNG
(CHEMBL1824138)
Show SMILES CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H23N7O/c1-14(2)11-28-12-18(10-25-28)21(19(29)27(3)20(22)26-21)17-6-4-5-15(7-17)16-8-23-13-24-9-16/h4-10,12-14H,11H2,1-3H3,(H2,22,26)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352856
PNG
(CHEMBL1824134)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352864
PNG
(CHEMBL1824142)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C22H23N7O/c1-28-20(30)22(27-21(28)23,18-12-26-29(13-18)19-7-2-3-8-19)17-6-4-5-15(9-17)16-10-24-14-25-11-16/h4-6,9-14,19H,2-3,7-8H2,1H3,(H2,23,27)
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(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 BACE1 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 1


(Homo sapiens (Human))
BDBM50352850
PNG
(CHEMBL1824335)
Show SMILES CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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 1


(Homo sapiens (Human))
BDBM50352852
PNG
(CHEMBL1824145)
Show SMILES CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 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))
BDBM50352850
PNG
(CHEMBL1824335)
Show SMILES CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m1/s1
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n/an/a 7.39E+3n/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))
BDBM50352852
PNG
(CHEMBL1824145)
Show SMILES CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m0/s1
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n/an/a 210n/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
Cathepsin D


(Homo sapiens (Human))
BDBM50352852
PNG
(CHEMBL1824145)
Show SMILES CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m0/s1
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n/an/a 6.69E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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))
BDBM50352853
PNG
(CHEMBL1824338)
Show SMILES CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/m0/s1
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n/an/a 500n/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
Cathepsin D


(Homo sapiens (Human))
BDBM50352853
PNG
(CHEMBL1824338)
Show SMILES CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/m0/s1
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n/an/a 4.79E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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))
BDBM50352856
PNG
(CHEMBL1824134)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)
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n/an/a 1.47E+3n/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
Cathepsin D


(Homo sapiens (Human))
BDBM50352856
PNG
(CHEMBL1824134)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)
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n/an/a 7.58E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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))
BDBM50352857
PNG
(CHEMBL1824135)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25)
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n/an/a 2.37E+3n/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
Cathepsin D


(Homo sapiens (Human))
BDBM50352857
PNG
(CHEMBL1824135)
Show SMILES CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H18FN7O/c1-3-27-10-14(9-24-27)19(17(28)26(2)18(21)25-19)13-4-5-16(20)15(6-13)12-7-22-11-23-8-12/h4-11H,3H2,1-2H3,(H2,21,25)
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n/an/a 2.85E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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))
BDBM50352858
PNG
(CHEMBL1824136)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H15F4N7O/c1-29-16(31)19(28-17(29)24,13-7-27-30(8-13)9-18(21,22)23)12-2-3-15(20)14(4-12)11-5-25-10-26-6-11/h2-8,10H,9H2,1H3,(H2,24,28)
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n/an/a 8.79E+3n/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
Cathepsin D


(Homo sapiens (Human))
BDBM50352858
PNG
(CHEMBL1824136)
Show SMILES CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C19H15F4N7O/c1-29-16(31)19(28-17(29)24,13-7-27-30(8-13)9-18(21,22)23)12-2-3-15(20)14(4-12)11-5-25-10-26-6-11/h2-8,10H,9H2,1H3,(H2,24,28)
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n/an/a 3.86E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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))
BDBM50352859
PNG
(CHEMBL1824137)
Show SMILES CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26)
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n/an/a 6.65E+3n/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
Cathepsin D


(Homo sapiens (Human))
BDBM50352859
PNG
(CHEMBL1824137)
Show SMILES CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1
Show InChI InChI=1S/C20H20FN7O/c1-12(2)28-10-15(9-25-28)20(18(29)27(3)19(22)26-20)14-4-5-17(21)16(6-14)13-7-23-11-24-8-13/h4-12H,1-3H3,(H2,22,26)
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n/an/a 2.83E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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))
BDBM50352860
PNG
(CHEMBL1824138)
Show SMILES CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H23N7O/c1-14(2)11-28-12-18(10-25-28)21(19(29)27(3)20(22)26-21)17-6-4-5-15(7-17)16-8-23-13-24-9-16/h4-10,12-14H,11H2,1-3H3,(H2,22,26)
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n/an/a 130n/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
Cathepsin D


(Homo sapiens (Human))
BDBM50352860
PNG
(CHEMBL1824138)
Show SMILES CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H23N7O/c1-14(2)11-28-12-18(10-25-28)21(19(29)27(3)20(22)26-21)17-6-4-5-15(7-17)16-8-23-13-24-9-16/h4-10,12-14H,11H2,1-3H3,(H2,22,26)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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))
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
Cathepsin D


(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 7.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D 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
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