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Patent code US9238626

Compile Data Set for Download or QSAR
Found 42 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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50379273
PNG
(CHEMBL1994202 | US9238626, (-)-Huprine Y HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1
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n/an/a 0.0600n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.0800n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50379273
PNG
(CHEMBL1994202 | US9238626, (-)-Huprine Y HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1
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n/an/a 0.430n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 0.690n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM202364
PNG
(US9238626, (-)-(Ib) HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m0/s1
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n/an/a 2.40n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM202363
PNG
(US9238626, (+/-)-(Ib) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)
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n/an/a 3.60n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM202362
PNG
(US9238626, (+/-)-(Ia) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C40H40ClN3O5/c1-22-15-23-17-24(16-22)34-31(18-23)44-30-21-26(41)11-12-27(30)37(34)42-13-6-4-2-3-5-7-14-43-40(49)25-19-29-36(33(46)20-25)39(48)35-28(38(29)47)9-8-10-32(35)45/h8-12,15,19-21,23-24,45-46H,2-7,13-14,16-18H2,1H3,(H,42,44)(H,43,49)
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n/an/a 4.40n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM202366
PNG
(US9238626, (+/-)-(Ic) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C42H44ClN3O5/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51)
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n/an/a 7.60n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM202364
PNG
(US9238626, (-)-(Ib) HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m0/s1
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n/an/a 9.40n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50379274
PNG
(CHEMBL2011499 | US9238626, (+)-Huprine Y HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |r,t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m1/s1
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n/an/a 13.6n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM202367
PNG
(US9238626, (+/-)-(Id) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C43H46ClN3O5/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52)
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n/an/a 16.3n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM202367
PNG
(US9238626, (+/-)-(Id) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C43H46ClN3O5/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52)
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n/an/a 17.4n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM202368
PNG
(US9238626, (+/-)-(Ie) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 |t:1|
Show InChI InChI=1S/C40H32ClN3O5/c1-20-11-23-13-24(12-20)34-31(14-23)44-30-17-26(41)9-10-27(30)37(34)42-18-21-5-7-22(8-6-21)19-43-40(49)25-15-29-36(33(46)16-25)39(48)35-28(38(29)47)3-2-4-32(35)45/h2-11,15-17,23-24,45-46H,12-14,18-19H2,1H3,(H,42,44)(H,43,49)
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n/an/a 18.2n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM202363
PNG
(US9238626, (+/-)-(Ib) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)
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n/an/a 32.6n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM202366
PNG
(US9238626, (+/-)-(Ic) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C42H44ClN3O5/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51)
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n/an/a 46.7n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM202368
PNG
(US9238626, (+/-)-(Ie) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 |t:1|
Show InChI InChI=1S/C40H32ClN3O5/c1-20-11-23-13-24(12-20)34-31(14-23)44-30-17-26(41)9-10-27(30)37(34)42-18-21-5-7-22(8-6-21)19-43-40(49)25-15-29-36(33(46)16-25)39(48)35-28(38(29)47)3-2-4-32(35)45/h2-11,15-17,23-24,45-46H,12-14,18-19H2,1H3,(H,42,44)(H,43,49)
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n/an/a 60n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202365
PNG
(US9238626, (+)-(Ib) HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m1/s1
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n/an/a 80n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202364
PNG
(US9238626, (-)-(Ib) HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m0/s1
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n/an/a 80n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM202362
PNG
(US9238626, (+/-)-(Ia) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C40H40ClN3O5/c1-22-15-23-17-24(16-22)34-31(18-23)44-30-21-26(41)11-12-27(30)37(34)42-13-6-4-2-3-5-7-14-43-40(49)25-19-29-36(33(46)20-25)39(48)35-28(38(29)47)9-8-10-32(35)45/h8-12,15,19-21,23-24,45-46H,2-7,13-14,16-18H2,1H3,(H,42,44)(H,43,49)
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n/an/a 88.6n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM202365
PNG
(US9238626, (+)-(Ib) HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m1/s1
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n/an/a 98.9n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202363
PNG
(US9238626, (+/-)-(Ib) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)
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n/an/a 120n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50379274
PNG
(CHEMBL2011499 | US9238626, (+)-Huprine Y HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |r,t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m1/s1
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n/an/a 170n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM10592
PNG
(7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11...)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
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n/an/a 181n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM50379273
PNG
(CHEMBL1994202 | US9238626, (-)-Huprine Y HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1
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n/an/a 222n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM202365
PNG
(US9238626, (+)-(Ib) HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m1/s1
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n/an/a 265n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM202362
PNG
(US9238626, (+/-)-(Ia) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C40H40ClN3O5/c1-22-15-23-17-24(16-22)34-31(18-23)44-30-21-26(41)11-12-27(30)37(34)42-13-6-4-2-3-5-7-14-43-40(49)25-19-29-36(33(46)20-25)39(48)35-28(38(29)47)9-8-10-32(35)45/h8-12,15,19-21,23-24,45-46H,2-7,13-14,16-18H2,1H3,(H,42,44)(H,43,49)
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n/an/a 350n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50379274
PNG
(CHEMBL2011499 | US9238626, (+)-Huprine Y HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |r,t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m1/s1
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n/an/a 373n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM202368
PNG
(US9238626, (+/-)-(Ie) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 |t:1|
Show InChI InChI=1S/C40H32ClN3O5/c1-20-11-23-13-24(12-20)34-31(14-23)44-30-17-26(41)9-10-27(30)37(34)42-18-21-5-7-22(8-6-21)19-43-40(49)25-15-29-36(33(46)16-25)39(48)35-28(38(29)47)3-2-4-32(35)45/h2-11,15-17,23-24,45-46H,12-14,18-19H2,1H3,(H,42,44)(H,43,49)
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n/an/a 510n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM202364
PNG
(US9238626, (-)-(Ib) HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m0/s1
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n/an/a 513n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM202363
PNG
(US9238626, (+/-)-(Ib) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)
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n/an/a 620n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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n/an/a 637n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM202367
PNG
(US9238626, (+/-)-(Id) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C43H46ClN3O5/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52)
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n/an/a 645n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202362
PNG
(US9238626, (+/-)-(Ia) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C40H40ClN3O5/c1-22-15-23-17-24(16-22)34-31(18-23)44-30-21-26(41)11-12-27(30)37(34)42-13-6-4-2-3-5-7-14-43-40(49)25-19-29-36(33(46)20-25)39(48)35-28(38(29)47)9-8-10-32(35)45/h8-12,15,19-21,23-24,45-46H,2-7,13-14,16-18H2,1H3,(H,42,44)(H,43,49)
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n/an/a 980n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM202366
PNG
(US9238626, (+/-)-(Ic) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C42H44ClN3O5/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51)
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n/an/a 1.10E+3n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202366
PNG
(US9238626, (+/-)-(Ic) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C42H44ClN3O5/c1-24-17-25-19-26(18-24)36-33(20-25)46-32-23-28(43)13-14-29(32)39(36)44-15-8-6-4-2-3-5-7-9-16-45-42(51)27-21-31-38(35(48)22-27)41(50)37-30(40(31)49)11-10-12-34(37)47/h10-14,17,21-23,25-26,47-48H,2-9,15-16,18-20H2,1H3,(H,44,46)(H,45,51)
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n/an/a 1.19E+3n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202367
PNG
(US9238626, (+/-)-(Id) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
Show InChI InChI=1S/C43H46ClN3O5/c1-25-18-26-20-27(19-25)37-34(21-26)47-33-24-29(44)14-15-30(33)40(37)45-16-9-7-5-3-2-4-6-8-10-17-46-43(52)28-22-32-39(36(49)23-28)42(51)38-31(41(32)50)12-11-13-35(38)48/h11-15,18,22-24,26-27,48-49H,2-10,16-17,19-21H2,1H3,(H,45,47)(H,46,52)
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n/an/a 1.20E+3n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM202368
PNG
(US9238626, (+/-)-(Ie) HCl)
Show SMILES CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 |t:1|
Show InChI InChI=1S/C40H32ClN3O5/c1-20-11-23-13-24(12-20)34-31(14-23)44-30-17-26(41)9-10-27(30)37(34)42-18-21-5-7-22(8-6-21)19-43-40(49)25-15-29-36(33(46)16-25)39(48)35-28(38(29)47)3-2-4-32(35)45/h2-11,15-17,23-24,45-46H,12-14,18-19H2,1H3,(H,42,44)(H,43,49)
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n/an/a 2.02E+3n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM202365
PNG
(US9238626, (+)-(Ib) HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
Show InChI InChI=1S/C41H42ClN3O5/c1-23-16-24-18-25(17-23)35-32(19-24)45-31-22-27(42)12-13-28(31)38(35)43-14-7-5-3-2-4-6-8-15-44-41(50)26-20-30-37(34(47)21-26)40(49)36-29(39(30)48)10-9-11-33(36)46/h9-13,16,20-22,24-25,46-47H,2-8,14-15,17-19H2,1H3,(H,43,45)(H,44,50)/t24-,25?/m1/s1
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n/an/a 2.93E+3n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50379273
PNG
(CHEMBL1994202 | US9238626, (-)-Huprine Y HCl)
Show SMILES CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50379274
PNG
(CHEMBL2011499 | US9238626, (+)-Huprine Y HCl)
Show SMILES CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |r,t:1|
Show InChI InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)/t10-,11+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/a25



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
β-Secretase (BACE-1, Sigma) inhibition studies were performed by employing a peptide mimicking APP sequence as substrate (methoxycoumarin-Ser-...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
AChE inhibitory activity of compounds (Ia)-(Ie) and (-)-(Ib) and (+)-(Ib) was evaluated spectrophotometrically at 25° C. by the method of Ellma...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))		BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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n/an/a 1.70E+4n/an/an/an/a8.025



UNIVERSITAT DE BARCELONA; PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

US Patent


Assay Description
BChE inhibitory activity determinations were carried out similarly by the method of Ellman et al., using 0.02 unit/mL of human serum BChE and 300 u...

US Patent US9238626 (2016)


BindingDB Entry DOI: 10.7270/Q2T152FZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%