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PubMed code 23480856

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM16047
PNG
((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432316
PNG
(CHEMBL2347874)
Show SMILES Brc1ccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C36H30BrN5O4/c37-25-14-15-31(41-19-16-40(17-20-41)18-21-42-35(44)27-11-5-6-12-28(27)36(42)45)30(23-25)39-33(43)29-22-24-8-4-7-13-32(24)46-34(29)38-26-9-2-1-3-10-26/h1-15,22-23H,16-21H2,(H,39,43)/b38-34-
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n/an/a 98n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432318
PNG
(CHEMBL2347872)
Show SMILES Brc1ccc(N2CCN(Cc3cccc(c3)C#N)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C34H28BrN5O2/c35-27-13-14-31(40-17-15-39(16-18-40)23-25-8-6-7-24(19-25)22-36)30(21-27)38-33(41)29-20-26-9-4-5-12-32(26)42-34(29)37-28-10-2-1-3-11-28/h1-14,19-21H,15-18,23H2,(H,38,41)/b37-34-
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n/an/a 119n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432315
PNG
(CHEMBL2347875)
Show SMILES Brc1ccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C37H32BrN5O4/c38-26-15-16-32(42-21-19-41(20-22-42)17-8-18-43-36(45)28-12-5-6-13-29(28)37(43)46)31(24-26)40-34(44)30-23-25-9-4-7-14-33(25)47-35(30)39-27-10-2-1-3-11-27/h1-7,9-16,23-24H,8,17-22H2,(H,40,44)/b39-35-
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n/an/a 326n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432324
PNG
(CHEMBL2347867)
Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C33H29BrN4O2/c34-26-15-16-30(38-19-17-37(18-20-38)23-24-9-3-1-4-10-24)29(22-26)36-32(39)28-21-25-11-7-8-14-31(25)40-33(28)35-27-12-5-2-6-13-27/h1-16,21-22H,17-20,23H2,(H,36,39)/b35-33-
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n/an/a 503n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432317
PNG
(CHEMBL2347873)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(Br)cc2NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)cc1
Show InChI InChI=1S/C34H31BrN4O3/c1-41-28-14-11-24(12-15-28)23-38-17-19-39(20-18-38)31-16-13-26(35)22-30(31)37-33(40)29-21-25-7-5-6-10-32(25)42-34(29)36-27-8-3-2-4-9-27/h2-16,21-22H,17-20,23H2,1H3,(H,37,40)/b36-34-
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n/an/a 578n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432308
PNG
(CHEMBL2347882)
Show SMILES Brc1ccc(N2CCN(CC2)C(=O)c2ccco2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C31H25BrN4O4/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-39-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)40-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30-
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n/an/a 741n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432320
PNG
(CHEMBL2347870)
Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Show InChI InChI=1S/C28H27BrN4O3/c29-21-10-11-25(33-14-12-32(13-15-33)16-17-34)24(19-21)31-27(35)23-18-20-6-4-5-9-26(20)36-28(23)30-22-7-2-1-3-8-22/h1-11,18-19,34H,12-17H2,(H,31,35)/b30-28-
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n/an/a 849n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432314
PNG
(CHEMBL2347876)
Show SMILES Brc1ccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C38H34BrN5O4/c39-27-16-17-33(43-22-20-42(21-23-43)18-8-9-19-44-37(46)29-13-5-6-14-30(29)38(44)47)32(25-27)41-35(45)31-24-26-10-4-7-15-34(26)48-36(31)40-28-11-2-1-3-12-28/h1-7,10-17,24-25H,8-9,18-23H2,(H,41,45)/b40-36-
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n/an/a 854n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432313
PNG
(CHEMBL2347877)
Show SMILES Brc1ccc(N2CCN(CCc3cc4ccccc4[nH]3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C36H32BrN5O2/c37-27-14-15-33(42-20-18-41(19-21-42)17-16-29-22-25-8-4-6-12-31(25)38-29)32(24-27)40-35(43)30-23-26-9-5-7-13-34(26)44-36(30)39-28-10-2-1-3-11-28/h1-15,22-24,38H,16-21H2,(H,40,43)/b39-36-
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n/an/a 928n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432327
PNG
(CHEMBL2347864)
Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=N)c1
Show InChI InChI=1S/C27H25BrN4O2/c28-21-10-11-24(32-14-12-31(13-15-32)18-19-6-2-1-3-7-19)23(17-21)30-27(33)22-16-20-8-4-5-9-25(20)34-26(22)29/h1-11,16-17,29H,12-15,18H2,(H,30,33)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432307
PNG
(CHEMBL2347883)
Show SMILES Brc1ccc(N2CCN(CC2)C(=O)c2cccs2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C31H25BrN4O3S/c32-22-12-13-26(35-14-16-36(17-15-35)31(38)28-11-6-18-40-28)25(20-22)34-29(37)24-19-21-7-4-5-10-27(21)39-30(24)33-23-8-2-1-3-9-23/h1-13,18-20H,14-17H2,(H,34,37)/b33-30-
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n/an/a 3.55E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432321
PNG
(CHEMBL2347869)
Show SMILES Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C26H23BrN4O2/c27-19-10-11-23(31-14-12-28-13-15-31)22(17-19)30-25(32)21-16-18-6-4-5-9-24(18)33-26(21)29-20-7-2-1-3-8-20/h1-11,16-17,28H,12-15H2,(H,30,32)/b29-26-
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n/an/a 9.27E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432323
PNG
(CHEMBL2346677)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Show InChI InChI=1S/C31H31BrN4O4/c1-31(2,3)40-30(38)36-17-15-35(16-18-36)26-14-13-22(32)20-25(26)34-28(37)24-19-21-9-7-8-12-27(21)39-29(24)33-23-10-5-4-6-11-23/h4-14,19-20H,15-18H2,1-3H3,(H,34,37)/b33-29-
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n/an/a 9.81E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432312
PNG
(CHEMBL2347878)
Show SMILES Clc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Show InChI InChI=1S/C33H26BrClN4O3/c34-24-13-14-29(38-15-17-39(18-16-38)33(41)23-8-6-9-25(35)19-23)28(21-24)37-31(40)27-20-22-7-4-5-12-30(22)42-32(27)36-26-10-2-1-3-11-26/h1-14,19-21H,15-18H2,(H,37,40)/b36-32-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432325
PNG
(CHEMBL2347866)
Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=N)oc12
Show InChI InChI=1S/C28H27BrN4O3/c1-35-25-9-5-8-20-16-22(27(30)36-26(20)25)28(34)31-23-17-21(29)10-11-24(23)33-14-12-32(13-15-33)18-19-6-3-2-4-7-19/h2-11,16-17,30H,12-15,18H2,1H3,(H,31,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432326
PNG
(CHEMBL2347865)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=N
Show InChI InChI=1S/C25H27BrN4O4/c1-25(2,3)34-24(32)30-12-10-29(11-13-30)20-9-8-17(26)15-19(20)28-23(31)18-14-16-6-4-5-7-21(16)33-22(18)27/h4-9,14-15,27H,10-13H2,1-3H3,(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432319
PNG
(CHEMBL2347871)
Show SMILES Brc1ccc(N2CCN(CCCC#N)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Show InChI InChI=1S/C30H28BrN5O2/c31-23-12-13-27(36-18-16-35(17-19-36)15-7-6-14-32)26(21-23)34-29(37)25-20-22-8-4-5-11-28(22)38-30(25)33-24-9-2-1-3-10-24/h1-5,8-13,20-21H,6-7,15-19H2,(H,34,37)/b33-30-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432311
PNG
(CHEMBL2347879)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Show InChI InChI=1S/C34H29BrN4O4/c1-42-27-14-11-23(12-15-27)34(41)39-19-17-38(18-20-39)30-16-13-25(35)22-29(30)37-32(40)28-21-24-7-5-6-10-31(24)43-33(28)36-26-8-3-2-4-9-26/h2-16,21-22H,17-20H2,1H3,(H,37,40)/b36-33-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432322
PNG
(CHEMBL2347868)
Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)\c(=N\c3ccccc3)oc12
Show InChI InChI=1S/C34H31BrN4O3/c1-41-31-14-8-11-25-21-28(34(42-32(25)31)36-27-12-6-3-7-13-27)33(40)37-29-22-26(35)15-16-30(29)39-19-17-38(18-20-39)23-24-9-4-2-5-10-24/h2-16,21-22H,17-20,23H2,1H3,(H,37,40)/b36-34-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432310
PNG
(CHEMBL2347880)
Show SMILES COc1ccccc1C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Show InChI InChI=1S/C34H29BrN4O4/c1-42-31-14-8-6-12-26(31)34(41)39-19-17-38(18-20-39)29-16-15-24(35)22-28(29)37-32(40)27-21-23-9-5-7-13-30(23)43-33(27)36-25-10-3-2-4-11-25/h2-16,21-22H,17-20H2,1H3,(H,37,40)/b36-33-
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n/an/a 2.57E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50432309
PNG
(CHEMBL2347881)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Show InChI InChI=1S/C33H26BrN5O5/c34-24-13-14-29(37-15-17-38(18-16-37)33(41)23-8-6-11-26(19-23)39(42)43)28(21-24)36-31(40)27-20-22-7-4-5-12-30(22)44-32(27)35-25-9-2-1-3-10-25/h1-14,19-21H,15-18H2,(H,36,40)/b35-32-
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n/an/a 2.64E+4n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay

Bioorg Med Chem 21: 2396-412 (2013)


Article DOI: 10.1016/j.bmc.2013.01.064
BindingDB Entry DOI: 10.7270/Q2BV7J12
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%