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PubMed code 25699151

Compile data set for download or QSAR
Found 57 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061780
PNG
(CHEMBL3394226)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H17F4N5O2/c24-19-13(2-1-6-29-19)12-3-4-16-14(8-12)23(11-33-21(28)31-23)15-9-17(30-20(25)18(15)34-16)32-7-5-22(26,27)10-32/h1-4,6,8-9H,5,7,10-11H2,(H2,28,31)/t23-/m0/s1
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PubMed
 5.60E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061775
PNG
(CHEMBL3394225)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H19F4N5O2/c25-20-14(2-1-7-30-20)13-3-4-17-15(10-13)24(12-34-22(29)32-24)16-11-18(31-21(26)19(16)35-17)33-8-5-23(27,28)6-9-33/h1-4,7,10-11H,5-6,8-9,12H2,(H2,29,32)/t24-/m0/s1
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 6.90E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061730
PNG
(CHEMBL3394216)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-19-6-4-13(10-30-19)17-9-16-20(22(27)31-17)34-18-5-3-12(14-2-1-7-29-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061735
PNG
(CHEMBL3394221)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-5,7,10-11H,6,8-9,12H2,(H2,27,30)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061736
PNG
(CHEMBL3394222)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061737
PNG
(CHEMBL3394223)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H20F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,27,30)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061729
PNG
(CHEMBL3394215)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-20-13(3-1-7-29-20)12-5-6-18-15(9-12)24(11-33-23(28)32-24)16-10-17(31-22(27)19(16)34-18)14-4-2-8-30-21(14)26/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061965
PNG
(CHEMBL3394213)
Show SMILES Cc1ccc(cn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
Show InChI InChI=1S/C25H17F2N5O2/c1-13-4-5-15(11-30-13)19-10-18-21(23(27)31-19)34-20-7-6-14(16-3-2-8-29-22(16)26)9-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061893
PNG
(CHEMBL3394212)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H15F2N5O2/c25-21-15(2-1-7-29-21)14-3-4-19-16(10-14)24(12-32-23(27)31-24)17-11-18(13-5-8-28-9-6-13)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061890
PNG
(CHEMBL3394211)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H15F2N5O2/c25-21-15(4-2-8-29-21)13-5-6-19-16(9-13)24(12-32-23(27)31-24)17-10-18(14-3-1-7-28-11-14)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061835
PNG
(CHEMBL3394228)
Show SMILES Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:24|
Show InChI InChI=1S/C23H15F2N5O3/c1-11-7-18(33-30-11)16-9-15-19(21(25)28-16)32-17-5-4-12(13-3-2-6-27-20(13)24)8-14(17)23(15)10-31-22(26)29-23/h2-9H,10H2,1H3,(H2,26,29)/t23-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061874
PNG
(CHEMBL3394210)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061728
PNG
(CHEMBL3394214)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
Show InChI InChI=1S/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061732
PNG
(CHEMBL3394218)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-11H,2-3,8,12H2,(H2,27,30)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061831
PNG
(CHEMBL3394227)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H18F3N5O2/c24-13-5-7-31(10-13)18-9-16-19(21(26)29-18)33-17-4-3-12(14-2-1-6-28-20(14)25)8-15(17)23(16)11-32-22(27)30-23/h1-4,6,8-9,13H,5,7,10-11H2,(H2,27,30)/t13-,23+/m1/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061733
PNG
(CHEMBL3394219)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCCO1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-14(4-3-8-28-21)13-6-7-18-15(10-13)24(12-32-23(27)30-24)16-11-17(19-5-1-2-9-31-19)29-22(26)20(16)33-18/h3-8,10-11H,1-2,9,12H2,(H2,27,30)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061738
PNG
(CHEMBL3394224)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061731
PNG
(CHEMBL3394217)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-19-9-13(5-7-29-19)17-10-16-20(22(27)31-17)34-18-4-3-12(14-2-1-6-30-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50061734
PNG
(CHEMBL3394220)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1ncccc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1
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>1.50E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061732
PNG
(CHEMBL3394218)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-11H,2-3,8,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061831
PNG
(CHEMBL3394227)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H18F3N5O2/c24-13-5-7-31(10-13)18-9-16-19(21(26)29-18)33-17-4-3-12(14-2-1-6-28-20(14)25)8-15(17)23(16)11-32-22(27)30-23/h1-4,6,8-9,13H,5,7,10-11H2,(H2,27,30)/t13-,23+/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061780
PNG
(CHEMBL3394226)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H17F4N5O2/c24-19-13(2-1-6-29-19)12-3-4-16-14(8-12)23(11-33-21(28)31-23)15-9-17(30-20(25)18(15)34-16)32-7-5-22(26,27)10-32/h1-4,6,8-9H,5,7,10-11H2,(H2,28,31)/t23-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061890
PNG
(CHEMBL3394211)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H15F2N5O2/c25-21-15(4-2-8-29-21)13-5-6-19-16(9-13)24(12-32-23(27)31-24)17-10-18(14-3-1-7-28-11-14)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061735
PNG
(CHEMBL3394221)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-5,7,10-11H,6,8-9,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061775
PNG
(CHEMBL3394225)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H19F4N5O2/c25-20-14(2-1-7-30-20)13-3-4-17-15(10-13)24(12-34-22(29)32-24)16-11-18(31-21(26)19(16)35-17)33-8-5-23(27,28)6-9-33/h1-4,7,10-11H,5-6,8-9,12H2,(H2,29,32)/t24-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061734
PNG
(CHEMBL3394220)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1ncccc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061730
PNG
(CHEMBL3394216)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-19-6-4-13(10-30-19)17-9-16-20(22(27)31-17)34-18-5-3-12(14-2-1-7-29-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061738
PNG
(CHEMBL3394224)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061835
PNG
(CHEMBL3394228)
Show SMILES Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:24|
Show InChI InChI=1S/C23H15F2N5O3/c1-11-7-18(33-30-11)16-9-15-19(21(25)28-16)32-17-5-4-12(13-3-2-6-27-20(13)24)8-14(17)23(15)10-31-22(26)29-23/h2-9H,10H2,1H3,(H2,26,29)/t23-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061733
PNG
(CHEMBL3394219)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCCO1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-14(4-3-8-28-21)13-6-7-18-15(10-13)24(12-32-23(27)30-24)16-11-17(19-5-1-2-9-31-19)29-22(26)20(16)33-18/h3-8,10-11H,1-2,9,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061893
PNG
(CHEMBL3394212)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H15F2N5O2/c25-21-15(2-1-7-29-21)14-3-4-19-16(10-14)24(12-32-23(27)31-24)17-11-18(13-5-8-28-9-6-13)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061731
PNG
(CHEMBL3394217)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-19-9-13(5-7-29-19)17-10-16-20(22(27)31-17)34-18-4-3-12(14-2-1-6-30-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061965
PNG
(CHEMBL3394213)
Show SMILES Cc1ccc(cn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
Show InChI InChI=1S/C25H17F2N5O2/c1-13-4-5-15(11-30-13)19-10-18-21(23(27)31-19)34-20-7-6-14(16-3-2-8-29-22(16)26)9-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061737
PNG
(CHEMBL3394223)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H20F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061874
PNG
(CHEMBL3394210)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061728
PNG
(CHEMBL3394214)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
Show InChI InChI=1S/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061736
PNG
(CHEMBL3394222)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061729
PNG
(CHEMBL3394215)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-20-13(3-1-7-29-20)12-5-6-18-15(9-12)24(11-33-23(28)32-24)16-10-17(31-22(27)19(16)34-18)14-4-2-8-30-21(14)26/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 pre-incubated with enzyme for 60 mins before fluorescent substrate addition FRET method

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061831
PNG
(CHEMBL3394227)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H18F3N5O2/c24-13-5-7-31(10-13)18-9-16-19(21(26)29-18)33-17-4-3-12(14-2-1-6-28-20(14)25)8-15(17)23(16)11-32-22(27)30-23/h1-4,6,8-9,13H,5,7,10-11H2,(H2,27,30)/t13-,23+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061890
PNG
(CHEMBL3394211)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H15F2N5O2/c25-21-15(4-2-8-29-21)13-5-6-19-16(9-13)24(12-32-23(27)31-24)17-10-18(14-3-1-7-28-11-14)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061732
PNG
(CHEMBL3394218)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-11H,2-3,8,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061735
PNG
(CHEMBL3394221)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-5,7,10-11H,6,8-9,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061734
PNG
(CHEMBL3394220)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1ncccc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-17-4-1-7-28-20(17)13-5-6-19-15(9-13)24(12-32-23(27)30-24)16-10-18(14-3-2-8-31-11-14)29-22(26)21(16)33-19/h1,3-7,9-10H,2,8,11-12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061780
PNG
(CHEMBL3394226)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H17F4N5O2/c24-19-13(2-1-6-29-19)12-3-4-16-14(8-12)23(11-33-21(28)31-23)15-9-17(30-20(25)18(15)34-16)32-7-5-22(26,27)10-32/h1-4,6,8-9H,5,7,10-11H2,(H2,28,31)/t23-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061733
PNG
(CHEMBL3394219)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCCO1)-c1cccnc1F |r,t:1,24|
Show InChI InChI=1S/C24H18F2N4O3/c25-21-14(4-3-8-28-21)13-6-7-18-15(10-13)24(12-32-23(27)30-24)16-11-17(19-5-1-2-9-31-19)29-22(26)20(16)33-18/h3-8,10-11H,1-2,9,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061738
PNG
(CHEMBL3394224)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C23H19F2N5O3/c24-20-14(2-1-5-27-20)13-3-4-17-15(10-13)23(12-32-22(26)29-23)16-11-18(28-21(25)19(16)33-17)30-6-8-31-9-7-30/h1-5,10-11H,6-9,12H2,(H2,26,29)/t23-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061965
PNG
(CHEMBL3394213)
Show SMILES Cc1ccc(cn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
Show InChI InChI=1S/C25H17F2N5O2/c1-13-4-5-15(11-30-13)19-10-18-21(23(27)31-19)34-20-7-6-14(16-3-2-8-29-22(16)26)9-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061775
PNG
(CHEMBL3394225)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H19F4N5O2/c25-20-14(2-1-7-30-20)13-3-4-17-15(10-13)24(12-34-22(29)32-24)16-11-18(31-21(26)19(16)35-17)33-8-5-23(27,28)6-9-33/h1-4,7,10-11H,5-6,8-9,12H2,(H2,29,32)/t24-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061893
PNG
(CHEMBL3394212)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H15F2N5O2/c25-21-15(2-1-7-29-21)14-3-4-19-16(10-14)24(12-32-23(27)31-24)17-11-18(13-5-8-28-9-6-13)30-22(26)20(17)33-19/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061731
PNG
(CHEMBL3394217)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-19-9-13(5-7-29-19)17-10-16-20(22(27)31-17)34-18-4-3-12(14-2-1-6-30-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061874
PNG
(CHEMBL3394210)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C25H16F2N4O2/c26-22-16(7-4-10-29-22)15-8-9-20-17(11-15)25(13-32-24(28)31-25)18-12-19(14-5-2-1-3-6-14)30-23(27)21(18)33-20/h1-12H,13H2,(H2,28,31)/t25-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061728
PNG
(CHEMBL3394214)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
Show InChI InChI=1S/C25H17F2N5O2/c1-13-9-15(6-8-29-13)19-11-18-21(23(27)31-19)34-20-5-4-14(16-3-2-7-30-22(16)26)10-17(20)25(18)12-33-24(28)32-25/h2-11H,12H2,1H3,(H2,28,32)/t25-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061730
PNG
(CHEMBL3394216)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-19-6-4-13(10-30-19)17-9-16-20(22(27)31-17)34-18-5-3-12(14-2-1-7-29-21(14)26)8-15(18)24(16)11-33-23(28)32-24/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061737
PNG
(CHEMBL3394223)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H20F2N4O3/c25-21-15(2-1-7-28-21)14-3-4-19-16(10-14)24(12-32-23(27)30-24)17-11-18(13-5-8-31-9-6-13)29-22(26)20(17)33-19/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,27,30)/t24-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061835
PNG
(CHEMBL3394228)
Show SMILES Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:24|
Show InChI InChI=1S/C23H15F2N5O3/c1-11-7-18(33-30-11)16-9-15-19(21(25)28-16)32-17-5-4-12(13-3-2-6-27-20(13)24)8-14(17)23(15)10-31-22(26)29-23/h2-9H,10H2,1H3,(H2,26,29)/t23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061729
PNG
(CHEMBL3394215)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H14F3N5O2/c25-20-13(3-1-7-29-20)12-5-6-18-15(9-12)24(11-33-23(28)32-24)16-10-17(31-22(27)19(16)34-18)14-4-2-8-30-21(14)26/h1-10H,11H2,(H2,28,32)/t24-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50061736
PNG
(CHEMBL3394222)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F |r,t:1|
Show InChI InChI=1S/C24H20F2N4O3/c25-21-15(4-1-7-28-21)13-5-6-19-16(9-13)24(12-32-23(27)30-24)17-10-18(14-3-2-8-31-11-14)29-22(26)20(17)33-19/h1,4-7,9-10,14H,2-3,8,11-12H2,(H2,27,30)/t14?,24-/m0/s1
PDB
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antibodypedia
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n/an/a 105n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in HEK293 cells stably expressing APPSW assessed as reduction in Abeta40 level incubated overnight at 0.0005 to 10 uM by ELISA me...

ACS Med Chem Lett 6: 210-5 (2015)


Article DOI: 10.1021/ml500458t
BindingDB Entry DOI: 10.7270/Q2CN75JG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%