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Compile Data Set for Download or QSAR

Found 1998 hits with Last Name = 'judd' and Initial = 't'   
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))
BDBM50032737
PNG
(CHEMBL3354718)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F
Show InChI InChI=1S/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/m0/s1
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PubMed
3.30E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
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
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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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
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))
BDBM50061587
PNG
(CHEMBL3394051)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F
Show InChI InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23+/m1/s1
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7.80E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061594
PNG
(CHEMBL3394041)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F
Show InChI InChI=1S/C24H19FN4O3/c25-22-16(4-1-7-27-22)14-5-6-20-17(9-14)24(13-31-23(26)29-24)18-10-19(28-11-21(18)32-20)15-3-2-8-30-12-15/h1,3-7,9-11H,2,8,12-13H2,(H2,26,29)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061595
PNG
(CHEMBL3394042)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCOCC1)-c1cccnc1F
Show InChI InChI=1S/C24H21FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-4,7,10-12,14H,5-6,8-9,13H2,(H2,26,29)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061583
PNG
(CHEMBL3394047)
Show SMILES CC1(C)CN(CCO1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
Show InChI InChI=1S/C25H24FN5O3/c1-24(2)13-31(8-9-33-24)21-11-18-20(12-29-21)34-19-6-5-15(16-4-3-7-28-22(16)26)10-17(19)25(18)14-32-23(27)30-25/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,27,30)/t25-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061593
PNG
(CHEMBL3394040)
Show SMILES CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
Show InChI InChI=1S/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)20-11-19-22(13-30-20)34-21-6-5-15(17-4-3-8-29-23(17)27)10-18(21)26(19)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061582
PNG
(CHEMBL3394039)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F
Show InChI InChI=1S/C24H19FN4O3/c25-22-16(2-1-7-27-22)15-3-4-20-17(10-15)24(13-31-23(26)29-24)18-11-19(28-12-21(18)32-20)14-5-8-30-9-6-14/h1-5,7,10-12H,6,8-9,13H2,(H2,26,29)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061584
PNG
(CHEMBL3394048)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F
Show InChI InChI=1S/C24H20F3N5O2/c25-21-15(2-1-7-29-21)14-3-4-18-16(10-14)24(13-33-22(28)31-24)17-11-20(30-12-19(17)34-18)32-8-5-23(26,27)6-9-32/h1-4,7,10-12H,5-6,8-9,13H2,(H2,28,31)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061581
PNG
(CHEMBL3394058)
Show SMILES NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1
Show InChI InChI=1S/C25H20FN3O3/c26-23-18(2-1-9-28-23)17-4-6-22-20(13-17)25(14-31-24(27)29-25)19-12-16(3-5-21(19)32-22)15-7-10-30-11-8-15/h1-7,9,12-13H,8,10-11,14H2,(H2,27,29)/t25-/m1/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061580
PNG
(CHEMBL3394057)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F
Show InChI InChI=1S/C24H15F2N5O2/c25-21-9-14(5-7-28-21)18-10-17-20(11-30-18)33-19-4-3-13(15-2-1-6-29-22(15)26)8-16(19)24(17)12-32-23(27)31-24/h1-11H,12H2,(H2,27,31)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061592
PNG
(CHEMBL3394056)
Show SMILES Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
Show InChI InChI=1S/C25H18FN5O2/c1-14-9-16(6-8-28-14)20-11-19-22(12-30-20)33-21-5-4-15(17-3-2-7-29-23(17)26)10-18(21)25(19)13-32-24(27)31-25/h2-12H,13H2,1H3,(H2,27,31)/t25-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061591
PNG
(CHEMBL3394055)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccncc1)-c1cccnc1F
Show InChI InChI=1S/C24H16FN5O2/c25-22-16(2-1-7-28-22)15-3-4-20-17(10-15)24(13-31-23(26)30-24)18-11-19(29-12-21(18)32-20)14-5-8-27-9-6-14/h1-12H,13H2,(H2,26,30)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061590
PNG
(CHEMBL3394054)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1)-c1cccnc1F
Show InChI InChI=1S/C24H16FN5O2/c25-22-16(4-2-8-28-22)14-5-6-20-17(9-14)24(13-31-23(26)30-24)18-10-19(29-12-21(18)32-20)15-3-1-7-27-11-15/h1-12H,13H2,(H2,26,30)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061589
PNG
(CHEMBL3394053)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccn1)-c1cccnc1F
Show InChI InChI=1S/C24H16FN5O2/c25-22-15(4-3-9-28-22)14-6-7-20-16(10-14)24(13-31-23(26)30-24)17-11-19(29-12-21(17)32-20)18-5-1-2-8-27-18/h1-12H,13H2,(H2,26,30)/t24-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061585
PNG
(CHEMBL3394049)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F
Show InChI InChI=1S/C23H18F3N5O2/c24-20-14(2-1-6-28-20)13-3-4-17-15(8-13)23(12-32-21(27)30-23)16-9-19(29-10-18(16)33-17)31-7-5-22(25,26)11-31/h1-4,6,8-10H,5,7,11-12H2,(H2,27,30)/t23-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061586
PNG
(CHEMBL3394050)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@H](F)C1)-c1cccnc1F
Show InChI InChI=1S/C23H19F2N5O2/c24-14-5-7-30(11-14)20-9-17-19(10-28-20)32-18-4-3-13(15-2-1-6-27-21(15)25)8-16(18)23(17)12-31-22(26)29-23/h1-4,6,8-10,14H,5,7,11-12H2,(H2,26,29)/t14-,23-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061588
PNG
(CHEMBL3394052)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccc1)-c1cccnc1F
Show InChI InChI=1S/C25H17FN4O2/c26-23-17(7-4-10-28-23)16-8-9-21-18(11-16)25(14-31-24(27)30-25)19-12-20(29-13-22(19)32-21)15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,30)/t25-/m0/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50061598
PNG
(CHEMBL3394045)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@H]1CCCCO1)-c1cccnc1F
Show InChI InChI=1S/C24H21FN4O3/c25-22-15(4-3-8-27-22)14-6-7-19-16(10-14)24(13-31-23(26)29-24)17-11-18(28-12-21(17)32-19)20-5-1-2-9-30-20/h3-4,6-8,10-12,20H,1-2,5,9,13H2,(H2,26,29)/t20-,24+/m1/s1
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>1.00E+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 cells


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
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
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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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
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))
BDBM50061874
PNG
(CHEMBL3394210)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F
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))
BDBM50061835
PNG
(CHEMBL3394228)
Show SMILES Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1
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))
BDBM50061831
PNG
(CHEMBL3394227)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F
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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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
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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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
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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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
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))
BDBM50061735
PNG
(CHEMBL3394221)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F
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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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
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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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
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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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
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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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
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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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
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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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
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
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
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))
BDBM50061729
PNG
(CHEMBL3394215)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F
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
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
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
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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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))
BDBM50061732
PNG
(CHEMBL3394218)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F
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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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
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))
BDBM50061735
PNG
(CHEMBL3394221)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F
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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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
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))
BDBM50061775
PNG
(CHEMBL3394225)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F
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
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))
BDBM50061890
PNG
(CHEMBL3394211)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F
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))
BDBM50061730
PNG
(CHEMBL3394216)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F
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))
BDBM50032737
PNG
(CHEMBL3354718)
Show SMILES NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F
Show InChI InChI=1S/C25H19F2N3O3/c26-20-12-16(14-5-8-31-9-6-14)11-19-22(20)33-21-4-3-15(17-2-1-7-29-23(17)27)10-18(21)25(19)13-32-24(28)30-25/h1-5,7,10-12H,6,8-9,13H2,(H2,28,30)/t25-/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 BACE1 (unknown origin) by fluorescence assay


Bioorg Med Chem Lett 25: 767-74 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.092
BindingDB Entry DOI: 10.7270/Q21G0NXQ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM228440
PNG
(US9556135, 25)
Show SMILES Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1
Show InChI InChI=1S/C20H22ClFN4O3S/c1-11-7-12(21)9-24-16(11)17(27)25-13-5-6-15(22)14(8-13)20(4)10-30(28,29)19(2,3)18(23)26-20/h5-9H,10H2,1-4H3,(H2,23,26)(H,25,27)/t20-/m0/s1
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM229582
PNG
(US9556135, 174)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F
Show InChI InChI=1S/C20H18ClF2N5O2S/c1-19(10-31(29,30)20(2,23)18(24)28-19)14-8-13(3-4-15(14)22)27-17-16-11(5-6-25-17)7-12(21)9-26-16/h3-9H,10H2,1-2H3,(H2,24,28)(H,25,27)/t19-,20+/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Amgen, Inc.

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)

More data for this
Ligand-Target Pair
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