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15 similar compounds to monomer 50036574

Compile data set for download or QSAR
Wt: 388.5
BDBM50036575
Wt: 416.6
BDBM50036577
Wt: 390.5
BDBM50036578
Wt: 390.5
BDBM50036579
Wt: 416.6
BDBM50036580
Wt: 416.6
BDBM50036581
Wt: 404.5
BDBM50036584
Wt: 320.4
BDBM50036588
Wt: 430.6
BDBM50036589
Wt: 320.4
BDBM50036590
Wt: 404.5
BDBM50036591
Wt: 405.5
BDBM50036592
Wt: 390.6
BDBM50036593
Wt: 459.6
BDBM50036594
Wt: 430.6
BDBM50036608

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50036575,50036577,50036578,50036579,50036580,50036581,50036584,50036588,50036589,50036590,50036591,50036592,50036593,50036594,50036608   
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))
BDBM50036594
PNG
(CHEMBL3354261)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)NC2CCCCC2)C1=O
Show InChI InChI=1S/C26H45N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h19-22H,2-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1
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138n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036577
PNG
(CHEMBL3354251)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O
Show InChI InChI=1S/C25H44N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h19-22,27H,2-18H2,1H3,(H2,26,28)/t20-,22+,25+/m0/s1
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230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036575
PNG
(CHEMBL3354249)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NCC2CC2)C1=O
Show InChI InChI=1S/C23H40N4O/c1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18/h17-20,25H,2-16H2,1H3,(H2,24,26)/t19-,20+,23+/m0/s1
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480n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036579
PNG
(CHEMBL3354245)
Show SMILES CCCCC(=O)N1CC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1
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490n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036581
PNG
(CHEMBL3354247)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCN(C2)C(=O)CC2CCCC2)C1=O
Show InChI InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24-/m1/s1
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640n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin D


(Homo sapiens (Human))
BDBM50036589
PNG
(CHEMBL3354243)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCN(C2)C(=O)CC2CCCC2)C1=O
Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25-/m1/s1
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870n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036589
PNG
(CHEMBL3354243)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCN(C2)C(=O)CC2CCCC2)C1=O
Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25-/m1/s1
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970n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036592
PNG
(CHEMBL3353635)
Show SMILES CCCNC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036584
PNG
(CHEMBL3353637)
Show SMILES CCCCC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23-/m1/s1
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3.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036581
PNG
(CHEMBL3354247)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCN(C2)C(=O)CC2CCCC2)C1=O
Show InChI InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036594
PNG
(CHEMBL3354261)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)NC2CCCCC2)C1=O
Show InChI InChI=1S/C26H45N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h19-22H,2-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036593
PNG
(CHEMBL3353634)
Show SMILES CCCCCN1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036592
PNG
(CHEMBL3353635)
Show SMILES CCCNC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1
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8.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036588
PNG
(CHEMBL3353633)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCNC2)C1=O
Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1
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8.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036608
PNG
(CHEMBL3354244)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCN(C2)C(=O)CC2CCCC2)C1=O
Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25+/m0/s1
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8.50E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036608
PNG
(CHEMBL3354244)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCN(C2)C(=O)CC2CCCC2)C1=O
Show InChI InChI=1S/C25H42N4O2/c1-28-23(31)25(27-24(28)26,14-13-19-8-3-2-4-9-19)17-21-12-7-15-29(18-21)22(30)16-20-10-5-6-11-20/h19-21H,2-18H2,1H3,(H2,26,27)/t21-,25+/m0/s1
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1.24E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036591
PNG
(CHEMBL3354242)
Show SMILES CCCCC(=O)N1CCC[C@@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23+/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036578
PNG
(CHEMBL3354246)
Show SMILES CCCCC(=O)N1CC[C@@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22+/m0/s1
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1.74E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036579
PNG
(CHEMBL3354245)
Show SMILES CCCCC(=O)N1CC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C22H38N4O2/c1-3-4-10-19(27)26-14-12-18(16-26)15-22(20(28)25(2)21(23)24-22)13-11-17-8-6-5-7-9-17/h17-18H,3-16H2,1-2H3,(H2,23,24)/t18-,22-/m1/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036591
PNG
(CHEMBL3354242)
Show SMILES CCCCC(=O)N1CCC[C@@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23+/m0/s1
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2.80E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036580
PNG
(CHEMBL3354248)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCN(C2)C(=O)CC2CCCC2)C1=O
Show InChI InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24+/m0/s1
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3.70E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036584
PNG
(CHEMBL3353637)
Show SMILES CCCCC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23-/m1/s1
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4.40E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036575
PNG
(CHEMBL3354249)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NCC2CC2)C1=O
Show InChI InChI=1S/C23H40N4O/c1-27-21(28)23(26-22(27)24,13-12-17-6-3-2-4-7-17)15-19-8-5-9-20(14-19)25-16-18-10-11-18/h17-20,25H,2-16H2,1H3,(H2,24,26)/t19-,20+,23+/m0/s1
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5.33E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036577
PNG
(CHEMBL3354251)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O
Show InChI InChI=1S/C25H44N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h19-22,27H,2-18H2,1H3,(H2,26,28)/t20-,22+,25+/m0/s1
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6.35E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50036590
PNG
(CHEMBL3353632)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCNC2)C1=O
Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18+/m0/s1
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6.60E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified human BACE1 by FRET assay


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036593
PNG
(CHEMBL3353634)
Show SMILES CCCCCN1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1
Show InChI InChI=1S/C23H42N4O/c1-3-4-8-15-27-16-9-12-20(18-27)17-23(21(28)26(2)22(24)25-23)14-13-19-10-6-5-7-11-19/h19-20H,3-18H2,1-2H3,(H2,24,25)/t20-,23-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036590
PNG
(CHEMBL3353632)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@@H]2CCCNC2)C1=O
Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50036588
PNG
(CHEMBL3353633)
Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCCNC2)C1=O
Show InChI InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin)


Bioorg Med Chem Lett 24: 5455-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.006
BindingDB Entry DOI: 10.7270/Q2RJ4M38
More data for this
Ligand-Target Pair