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42 similar compounds to monomer 50432506

Compile data set for download or QSAR
Wt: 403.3
BDBM50432494
Wt: 379.4
BDBM50432495
Wt: 393.4
BDBM50432496
Wt: 387.8
BDBM50432497
Wt: 387.8
BDBM50432498
Wt: 383.4
BDBM50432499
Wt: 383.4
BDBM50432500
Wt: 404.2
BDBM50432501
Wt: 365.4
BDBM50432502
Wt: 365.4
BDBM50432503
Wt: 365.4
BDBM50432504
Wt: 360.4
BDBM50432505
Wt: 335.3
BDBM50432507
Wt: 370.8
BDBM50432513
Wt: 495.0
BDBM50432520
Displayed 1 to 15 (of 42 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 50432494,50432495,50432496,50432497,50432498,50432499,50432500,50432501,50432502,50432503,50432504,50432505,50432507,50432513,50432520   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432513
PNG
(CHEMBL2349467)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432507
PNG
(CHEMBL2349611)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H21N3O2/c1-19(2)12-20(17(24)23(3)18(21)22-20)15-11-14(9-10-16(15)25-19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,21,22)
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n/an/a 4.37E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432507
PNG
(CHEMBL2349611)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H21N3O2/c1-19(2)12-20(17(24)23(3)18(21)22-20)15-11-14(9-10-16(15)25-19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,21,22)
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n/an/a 455n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432495
PNG
(CHEMBL2349493)
Show SMILES CCOc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C22H25N3O3/c1-5-27-16-8-6-7-14(11-16)15-9-10-18-17(12-15)22(13-21(2,3)28-18)19(26)25(4)20(23)24-22/h6-12H,5,13H2,1-4H3,(H2,23,24)
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n/an/a 70n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432505
PNG
(CHEMBL2349613)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C21H20N4O2/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24)
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n/an/a 94n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432496
PNG
(CHEMBL2349492)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C23H27N3O3/c1-14(2)28-17-8-6-7-15(11-17)16-9-10-19-18(12-16)23(13-22(3,4)29-19)20(27)26(5)21(24)25-23/h6-12,14H,13H2,1-5H3,(H2,24,25)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432503
PNG
(CHEMBL2349615)
Show SMILES COc1ccccc1-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)15-11-13(9-10-17(15)27-20)14-7-5-6-8-16(14)26-4/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432494
PNG
(CHEMBL2349494)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C21H20F3N3O2/c1-19(2)11-20(17(28)27(3)18(25)26-20)15-10-13(7-8-16(15)29-19)12-5-4-6-14(9-12)21(22,23)24/h4-10H,11H2,1-3H3,(H2,25,26)
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n/an/a 74n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432504
PNG
(CHEMBL2349614)
Show SMILES COc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/a 68n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432501
PNG
(CHEMBL2349617)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)C1=O
Show InChI InChI=1S/C20H19Cl2N3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/a 28n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432502
PNG
(CHEMBL2349616)
Show SMILES COc1ccc(cc1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(7-10-17(16)27-20)13-5-8-15(26-4)9-6-13/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432499
PNG
(CHEMBL2349619)
Show SMILES COc1ccc(F)c(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)15-9-12(5-8-17(15)28-20)14-10-13(27-4)6-7-16(14)22/h5-10H,11H2,1-4H3,(H2,23,24)
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n/an/a 60n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432500
PNG
(CHEMBL2349618)
Show SMILES COc1cc(F)cc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)16-9-12(5-6-17(16)28-20)13-7-14(22)10-15(8-13)27-4/h5-10H,11H2,1-4H3,(H2,23,24)
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n/an/a 61n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432520
PNG
(CHEMBL2349486)
Show SMILES CC(=O)N1CCC(CN2C(N)=NC3(CC(C)(C)Oc4ccc(cc34)-c3cccc(Cl)c3)C2=O)CC1
Show InChI InChI=1S/C27H31ClN4O3/c1-17(33)31-11-9-18(10-12-31)15-32-24(34)27(30-25(32)29)16-26(2,3)35-23-8-7-20(14-22(23)27)19-5-4-6-21(28)13-19/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H2,29,30)
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n/an/a 22n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432498
PNG
(CHEMBL2349490)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O
Show InChI InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/a 39n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432513
PNG
(CHEMBL2349467)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1
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n/an/an/an/a 14n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432513
PNG
(CHEMBL2349467)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432498
PNG
(CHEMBL2349490)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O
Show InChI InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/an/an/a 95n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432520
PNG
(CHEMBL2349486)
Show SMILES CC(=O)N1CCC(CN2C(N)=NC3(CC(C)(C)Oc4ccc(cc34)-c3cccc(Cl)c3)C2=O)CC1
Show InChI InChI=1S/C27H31ClN4O3/c1-17(33)31-11-9-18(10-12-31)15-32-24(34)27(30-25(32)29)16-26(2,3)35-23-8-7-20(14-22(23)27)19-5-4-6-21(28)13-19/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H2,29,30)
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n/an/an/an/a 75n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432499
PNG
(CHEMBL2349619)
Show SMILES COc1ccc(F)c(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)15-9-12(5-8-17(15)28-20)14-10-13(27-4)6-7-16(14)22/h5-10H,11H2,1-4H3,(H2,23,24)
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n/an/an/an/a 86n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432501
PNG
(CHEMBL2349617)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)C1=O
Show InChI InChI=1S/C20H19Cl2N3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/an/an/a 184n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432500
PNG
(CHEMBL2349618)
Show SMILES COc1cc(F)cc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)16-9-12(5-6-17(16)28-20)13-7-14(22)10-15(8-13)27-4/h5-10H,11H2,1-4H3,(H2,23,24)
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n/an/an/an/a 148n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432497
PNG
(CHEMBL2349491)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)ccc2F)C1=O
Show InChI InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)14-8-11(4-7-16(14)27-19)13-9-12(21)5-6-15(13)22/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/an/an/a 115n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432507
PNG
(CHEMBL2349611)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H21N3O2/c1-19(2)12-20(17(24)23(3)18(21)22-20)15-11-14(9-10-16(15)25-19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,21,22)
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n/an/an/an/a 399n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432495
PNG
(CHEMBL2349493)
Show SMILES CCOc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C22H25N3O3/c1-5-27-16-8-6-7-14(11-16)15-9-10-18-17(12-15)22(13-21(2,3)28-18)19(26)25(4)20(23)24-22/h6-12H,5,13H2,1-4H3,(H2,23,24)
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n/an/an/an/a 633n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432505
PNG
(CHEMBL2349613)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C21H20N4O2/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24)
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n/an/an/an/a 36n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432494
PNG
(CHEMBL2349494)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C21H20F3N3O2/c1-19(2)11-20(17(28)27(3)18(25)26-20)15-10-13(7-8-16(15)29-19)12-5-4-6-14(9-12)21(22,23)24/h4-10H,11H2,1-3H3,(H2,25,26)
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n/an/an/an/a 166n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432504
PNG
(CHEMBL2349614)
Show SMILES COc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/an/an/a 164n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432513
PNG
(CHEMBL2349467)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432513
PNG
(CHEMBL2349467)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1
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n/an/an/an/a 30n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells expressing wild type APP assessed as level of amyloid beta (1 to 40) after 48 hrs by HTRF assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432520
PNG
(CHEMBL2349486)
Show SMILES CC(=O)N1CCC(CN2C(N)=NC3(CC(C)(C)Oc4ccc(cc34)-c3cccc(Cl)c3)C2=O)CC1
Show InChI InChI=1S/C27H31ClN4O3/c1-17(33)31-11-9-18(10-12-31)15-32-24(34)27(30-25(32)29)16-26(2,3)35-23-8-7-20(14-22(23)27)19-5-4-6-21(28)13-19/h4-8,13-14,18H,9-12,15-16H2,1-3H3,(H2,29,30)
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n/an/a 21n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432513
PNG
(CHEMBL2349467)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)14-7-11(4-5-15(14)26-18)12-6-13(20)9-22-8-12/h4-9H,10H2,1-3H3,(H2,21,23)/t19-/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432494
PNG
(CHEMBL2349494)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C21H20F3N3O2/c1-19(2)11-20(17(28)27(3)18(25)26-20)15-10-13(7-8-16(15)29-19)12-5-4-6-14(9-12)21(22,23)24/h4-10H,11H2,1-3H3,(H2,25,26)
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n/an/a 798n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432495
PNG
(CHEMBL2349493)
Show SMILES CCOc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C22H25N3O3/c1-5-27-16-8-6-7-14(11-16)15-9-10-18-17(12-15)22(13-21(2,3)28-18)19(26)25(4)20(23)24-22/h6-12H,5,13H2,1-4H3,(H2,23,24)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432496
PNG
(CHEMBL2349492)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C23H27N3O3/c1-14(2)28-17-8-6-7-15(11-17)16-9-10-19-18(12-16)23(13-22(3,4)29-19)20(27)26(5)21(24)25-23/h6-12,14H,13H2,1-5H3,(H2,24,25)
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n/an/a 430n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432497
PNG
(CHEMBL2349491)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)ccc2F)C1=O
Show InChI InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)14-8-11(4-7-16(14)27-19)13-9-12(21)5-6-15(13)22/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/a 265n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432498
PNG
(CHEMBL2349490)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O
Show InChI InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432499
PNG
(CHEMBL2349619)
Show SMILES COc1ccc(F)c(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)15-9-12(5-8-17(15)28-20)14-10-13(27-4)6-7-16(14)22/h5-10H,11H2,1-4H3,(H2,23,24)
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n/an/a 249n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432500
PNG
(CHEMBL2349618)
Show SMILES COc1cc(F)cc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H22FN3O3/c1-20(2)11-21(18(26)25(3)19(23)24-21)16-9-12(5-6-17(16)28-20)13-7-14(22)10-15(8-13)27-4/h5-10H,11H2,1-4H3,(H2,23,24)
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n/an/a 683n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432501
PNG
(CHEMBL2349617)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)C1=O
Show InChI InChI=1S/C20H19Cl2N3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)15-8-11(4-5-16(15)27-19)12-6-13(21)9-14(22)7-12/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/a 185n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432502
PNG
(CHEMBL2349616)
Show SMILES COc1ccc(cc1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(7-10-17(16)27-20)13-5-8-15(26-4)9-6-13/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/a 6.34E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432503
PNG
(CHEMBL2349615)
Show SMILES COc1ccccc1-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)15-11-13(9-10-17(15)27-20)14-7-5-6-8-16(14)26-4/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/a 3.46E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432504
PNG
(CHEMBL2349614)
Show SMILES COc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/a 295n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50432505
PNG
(CHEMBL2349613)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C21H20N4O2/c1-20(2)12-21(18(26)25(3)19(23)24-21)16-10-15(7-8-17(16)27-20)14-6-4-5-13(9-14)11-22/h4-10H,12H2,1-3H3,(H2,23,24)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human spleen cathepsin D using 5-FAM/QXL as peptide substrate after 1 hr by FRET assay


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432497
PNG
(CHEMBL2349491)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)ccc2F)C1=O
Show InChI InChI=1S/C20H19ClFN3O2/c1-19(2)10-20(17(26)25(3)18(23)24-20)14-8-11(4-7-16(14)27-19)13-9-12(21)5-6-15(13)22/h4-9H,10H2,1-3H3,(H2,23,24)
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n/an/a 36n/an/an/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells using biotin-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly...


J Med Chem 56: 3379-403 (2013)


Article DOI: 10.1021/jm4002154
BindingDB Entry DOI: 10.7270/Q2JD4Z52
More data for this
Ligand-Target Pair