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Compile Data Set for Download or QSAR

Found 425 hits with Last Name = 'clark' and Initial = 'ct'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432537
PNG
(CHEMBL2349506)
Show SMILES CC#Cc1cncc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C22H22N4O2/c1-5-6-14-9-16(12-24-11-14)15-7-8-18-17(10-15)22(13-21(2,3)28-18)19(27)26(4)20(23)25-22/h7-12H,13H2,1-4H3,(H2,23,25)
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n/an/a 10n/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))
BDBM50432512
PNG
(CHEMBL2349468)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C22H22N4O/c1-21(2)11-17-8-7-16(15-6-4-5-14(9-15)12-23)10-18(17)22(13-21)19(27)26(3)20(24)25-22/h4-10H,11,13H2,1-3H3,(H2,24,25)/t22-/m1/s1
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n/an/a 18n/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/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
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432528
PNG
(CHEMBL2349477)
Show SMILES CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4OS/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)
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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))
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))
BDBM50432531
PNG
(CHEMBL2349472)
Show SMILES CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O
Show InChI InChI=1S/C20H19ClFN3OS/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 23n/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))
BDBM50432512
PNG
(CHEMBL2349468)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C22H22N4O/c1-21(2)11-17-8-7-16(15-6-4-5-14(9-15)12-23)10-18(17)22(13-21)19(27)26(3)20(24)25-22/h4-10H,11,13H2,1-3H3,(H2,24,25)/t22-/m1/s1
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n/an/a 23n/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))
BDBM50432530
PNG
(CHEMBL2349473)
Show SMILES CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O
Show InChI InChI=1S/C21H21ClFN3O/c1-20(2)10-13-5-4-12(14-6-15(22)9-16(23)7-14)8-17(13)21(11-20)18(27)26(3)19(24)25-21/h4-9H,10-11H2,1-3H3,(H2,24,25)
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n/an/a 24n/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))
BDBM50432506
PNG
(CHEMBL2349612)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C20H20ClN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23)
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n/an/a 24n/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))
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))
BDBM50432546
PNG
(CHEMBL2349496)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(OC(F)F)c2)C1=O
Show InChI InChI=1S/C21H21F2N3O3/c1-20(2)11-21(17(27)26(3)19(24)25-21)15-10-13(7-8-16(15)29-20)12-5-4-6-14(9-12)28-18(22)23/h4-10,18H,11H2,1-3H3,(H2,24,25)
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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))
BDBM50432511
PNG
(CHEMBL2349469)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccnc2F)C1=O
Show InChI InChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)/t20-/m1/s1
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n/an/a 30n/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))
BDBM50432527
PNG
(CHEMBL2349478)
Show SMILES CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C20H21ClN4O/c1-19(2)8-13-5-4-12(14-6-15(21)10-23-9-14)7-16(13)20(11-19)17(26)25(3)18(22)24-20/h4-7,9-10H,8,11H2,1-3H3,(H2,22,24)
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n/an/a 30n/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/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
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
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))
BDBM50432529
PNG
(CHEMBL2349474)
Show SMILES CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cccc(c2)C#N)C1=O
Show InChI InChI=1S/C21H20N4OS/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 47n/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))
BDBM50432510
PNG
(CHEMBL2349470)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O
Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1
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n/an/a 48n/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))
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))
BDBM50432511
PNG
(CHEMBL2349469)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccnc2F)C1=O
Show InChI InChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)/t20-/m1/s1
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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))
BDBM50432538
PNG
(CHEMBL2349505)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C20H19F3N4O2/c1-18(2)10-19(16(28)27(3)17(24)26-19)14-7-11(4-5-15(14)29-18)12-6-13(9-25-8-12)20(21,22)23/h4-9H,10H2,1-3H3,(H2,24,26)
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n/an/a 63n/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))
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))
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))
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))
BDBM50432545
PNG
(CHEMBL2349497)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(F)c2)C1=O
Show InChI InChI=1S/C20H20FN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23)
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n/an/a 99n/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))
BDBM50432541
PNG
(CHEMBL2349501)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2)C1=O
Show InChI InChI=1S/C19H20N4O2/c1-18(2)11-19(16(24)23(3)17(20)22-19)14-9-12(6-7-15(14)25-18)13-5-4-8-21-10-13/h4-10H,11H2,1-3H3,(H2,20,22)
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n/an/a 113n/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))
BDBM50432521
PNG
(CHEMBL2349485)
Show SMILES COCCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C22H24ClN3O3/c1-21(2)13-22(19(27)26(9-10-28-3)20(24)25-22)17-12-15(7-8-18(17)29-21)14-5-4-6-16(23)11-14/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25)
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n/an/a 123n/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))
BDBM50432536
PNG
(CHEMBL2349507)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2F)C1=O
Show InChI InChI=1S/C19H19FN4O2/c1-18(2)10-19(16(25)24(3)17(21)23-19)13-9-11(6-7-14(13)26-18)12-5-4-8-22-15(12)20/h4-9H,10H2,1-3H3,(H2,21,23)
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n/an/a 130n/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))
BDBM50432526
PNG
(CHEMBL2349479)
Show SMILES CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncnc2)C1=O
Show InChI InChI=1S/C18H19N5OS/c1-17(2)9-18(15(24)23(3)16(19)22-18)13-6-11(4-5-14(13)25-17)12-7-20-10-21-8-12/h4-8,10H,9H2,1-3H3,(H2,19,22)
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n/an/a 135n/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))
BDBM50432510
PNG
(CHEMBL2349470)
Show SMILES CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O
Show InChI InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1
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n/an/a 138n/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))
BDBM50432535
PNG
(CHEMBL2349606)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(F)c2)C1=O
Show InChI InChI=1S/C19H19FN4O2/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)
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n/an/a 145n/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))
BDBM50432534
PNG
(CHEMBL2349607)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncnc2)C1=O
Show InChI InChI=1S/C18H19N5O2/c1-17(2)9-18(15(24)23(3)16(19)22-18)13-6-11(4-5-14(13)25-17)12-7-20-10-21-8-12/h4-8,10H,9H2,1-3H3,(H2,19,22)
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n/an/a 151n/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))
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432532
PNG
(CHEMBL2349609)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(NC(=O)c4ccc(C)o4)cc23)C1=O
Show InChI InChI=1S/C20H22N4O4/c1-11-5-7-15(27-11)16(25)22-12-6-8-14-13(9-12)20(10-19(2,3)28-14)17(26)24(4)18(21)23-20/h5-9H,10H2,1-4H3,(H2,21,23)(H,22,25)
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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))
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432523
PNG
(CHEMBL2349483)
Show SMILES CCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C21H22ClN3O2/c1-4-25-18(26)21(24-19(25)23)12-20(2,3)27-17-9-8-14(11-16(17)21)13-6-5-7-15(22)10-13/h5-11H,4,12H2,1-3H3,(H2,23,24)
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n/an/a 260n/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))
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432544
PNG
(CHEMBL2349498)
Show SMILES CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)C2CCCCC2)C1=O
Show InChI InChI=1S/C20H27N3O2/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/h9-11,13H,4-8,12H2,1-3H3,(H2,21,22)
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n/an/a 278n/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))
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))
BDBM50432521
PNG
(CHEMBL2349485)
Show SMILES COCCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C22H24ClN3O3/c1-21(2)13-22(19(27)26(9-10-28-3)20(24)25-22)17-12-15(7-8-18(17)29-21)14-5-4-6-16(23)11-14/h4-8,11-12H,9-10,13H2,1-3H3,(H2,24,25)
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n/an/a 329n/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))
BDBM50432547
PNG
(CHEMBL2349495)
Show SMILES CSc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O2S/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)26-20)13-6-5-7-15(10-13)27-4/h5-11H,12H2,1-4H3,(H2,22,23)
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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))
BDBM50432528
PNG
(CHEMBL2349477)
Show SMILES CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncc(Cl)c2)C1=O
Show InChI InChI=1S/C19H19ClN4OS/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)
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n/an/a 404n/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))
BDBM50432522
PNG
(CHEMBL2349484)
Show SMILES CC1(C)CC2(N=C(N)N(CC(F)(F)F)C2=O)c2cc(ccc2O1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H19ClF3N3O2/c1-19(2)10-20(17(29)28(18(26)27-20)11-21(23,24)25)15-9-13(6-7-16(15)30-19)12-4-3-5-14(22)8-12/h3-9H,10-11H2,1-2H3,(H2,26,27)
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n/an/a 420n/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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432543
PNG
(CHEMBL2349499)
Show SMILES CC(C)COc1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C18H25N3O3/c1-11(2)9-23-12-6-7-14-13(8-12)18(10-17(3,4)24-14)15(22)21(5)16(19)20-18/h6-8,11H,9-10H2,1-5H3,(H2,19,20)
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n/an/a 431n/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))
BDBM50432547
PNG
(CHEMBL2349495)
Show SMILES CSc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
Show InChI InChI=1S/C21H23N3O2S/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)26-20)13-6-5-7-15(10-13)27-4/h5-11H,12H2,1-4H3,(H2,22,23)
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n/an/a 447n/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
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