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Patent code US9096541

Compile Data Set for Download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))		BDBM172740
PNG
(US9096541, 113)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
Show InChI InChI=1S/C38H52N4O5/c1-7-14-33(43)35(37(46)40-23-25(2)3)39-24-34(44)32(21-28-15-10-8-11-16-28)41-36(45)30-19-26(4)20-31(22-30)38(47)42(6)27(5)29-17-12-9-13-18-29/h8-13,15-20,22,25,27,32-35,39,43-44H,7,14,21,23-24H2,1-6H3,(H,40,46)(H,41,45)
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US Patent
 0.00140n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172750
PNG
(US9096541, 6412)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
Show InChI InChI=1S/C37H50N4O5/c1-6-14-32(42)34(36(45)39-23-25(2)3)38-24-33(43)31(21-27-15-9-7-10-16-27)40-35(44)29-19-13-20-30(22-29)37(46)41(5)26(4)28-17-11-8-12-18-28/h7-13,15-20,22,25-26,31-34,38,42-43H,6,14,21,23-24H2,1-5H3,(H,39,45)(H,40,44)
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 0.0200n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172742
PNG
(US9096541, 213)
Show SMILES CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O
Show InChI InChI=1S/C36H48N4O5/c1-23(2)21-38-35(44)33(26(5)41)37-22-32(42)31(19-27-13-9-7-10-14-27)39-34(43)29-17-24(3)18-30(20-29)36(45)40(6)25(4)28-15-11-8-12-16-28/h7-18,20,23,25-26,31-33,37,41-42H,19,21-22H2,1-6H3,(H,38,44)(H,39,43)
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 1.00n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM172752
PNG
(US9096541, 6612)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C
Show InChI InChI=1S/C34H50N4O6/c1-6-11-28(39)31(33(42)36-20-22(2)3)35-21-29(40)27(18-24-12-8-7-9-13-24)37-32(41)25-16-23(4)17-26(19-25)34(43)38-15-10-14-30(38)44-5/h7-9,12-13,16-17,19,22,27-31,35,39-40H,6,10-11,14-15,18,20-21H2,1-5H3,(H,36,42)(H,37,41)
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 6.56n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172746
PNG
(US9096541, 3511)
Show SMILES CCCC(O)N(NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C3(CC3)Cn3cc(CC)c(c1)c23)C(=O)NCC(C)C |r|
Show InChI InChI=1S/C34H48N6O5S/c1-6-11-30(41)40(33(43)35-19-23(3)4)36-20-27(16-24-12-9-8-10-13-24)37-32(42)26-17-28-25(7-2)21-39-22-34(14-15-34)46(44,45)38(5)29(18-26)31(28)39/h8-10,12-13,17-18,21,23,27,30,36,41H,6-7,11,14-16,19-20,22H2,1-5H3,(H,35,43)(H,37,42)/t27-,30?/m0/s1
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 11n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172752
PNG
(US9096541, 6612)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C
Show InChI InChI=1S/C34H50N4O6/c1-6-11-28(39)31(33(42)36-20-22(2)3)35-21-29(40)27(18-24-12-8-7-9-13-24)37-32(41)25-16-23(4)17-26(19-25)34(43)38-15-10-14-30(38)44-5/h7-9,12-13,16-17,19,22,27-31,35,39-40H,6,10-11,14-15,18,20-21H2,1-5H3,(H,36,42)(H,37,41)
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 19.7n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172747
PNG
(US9096541, 4311)
Show SMILES CCCC(O)N(NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C3(CC3)Cn3cc(CC)c(c1)c23)C(=O)NC(C)C |r|
Show InChI InChI=1S/C33H46N6O5S/c1-6-11-29(40)39(32(42)35-22(3)4)34-19-26(16-23-12-9-8-10-13-23)36-31(41)25-17-27-24(7-2)20-38-21-33(14-15-33)45(43,44)37(5)28(18-25)30(27)38/h8-10,12-13,17-18,20,22,26,29,34,40H,6-7,11,14-16,19,21H2,1-5H3,(H,35,42)(H,36,41)/t26-,29?/m0/s1
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 30n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172741
PNG
(US9096541, 211)
Show SMILES CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NC(C)c1ccccc1)N(C)S(C)(=O)=O)C(C)O
Show InChI InChI=1S/C36H49N5O7S/c1-23(2)21-38-36(46)33(25(4)42)37-22-32(43)31(17-26-13-9-7-10-14-26)40-35(45)29-18-28(19-30(20-29)41(5)49(6,47)48)34(44)39-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,31-33,37,42-43H,17,21-22H2,1-6H3,(H,38,46)(H,39,44)(H,40,45)
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 37n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172734
PNG
(US9096541, 1910)
Show SMILES CSC[C@H](NC(=O)C1NOC2OCCC12)C(=O)NC(CC(C)C)[C@@H](O)CC(C)C(=O)NC(C(C)C)C(=O)N(C)C |r|
Show InChI InChI=1S/C27H49N5O7S/c1-14(2)11-18(20(33)12-16(5)23(34)30-21(15(3)4)26(37)32(6)7)28-24(35)19(13-40-8)29-25(36)22-17-9-10-38-27(17)39-31-22/h14-22,27,31,33H,9-13H2,1-8H3,(H,28,35)(H,29,36)(H,30,34)/t16?,17?,18?,19-,20-,21?,22?,27?/m0/s1
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 46n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172732
PNG
(US9096541, 810)
Show SMILES NC1=Nc2ccc(Oc3ccccc3)cc2CN1C(CCC(=O)N(CC1CCC(=O)N1)C1CCCCC1)C1CCCCC1 |t:1|
Show InChI InChI=1S/C35H47N5O3/c36-35-38-31-18-17-30(43-29-14-8-3-9-15-29)22-26(31)23-40(35)32(25-10-4-1-5-11-25)19-21-34(42)39(28-12-6-2-7-13-28)24-27-16-20-33(41)37-27/h3,8-9,14-15,17-18,22,25,27-28,32H,1-2,4-7,10-13,16,19-21,23-24H2,(H2,36,38)(H,37,41)
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 48n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172736
PNG
(US9096541, 2710)
Show SMILES CC(C)CC(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)C1NOC2OCCC12)[C@@H](O)CC(C)C(=O)NC(C(C)C)C(=O)N(C)C |r|
Show InChI InChI=1S/C27H49N5O9S/c1-14(2)11-18(20(33)12-16(5)23(34)30-21(15(3)4)26(37)32(6)7)28-24(35)19(13-42(8,38)39)29-25(36)22-17-9-10-40-27(17)41-31-22/h14-22,27,31,33H,9-13H2,1-8H3,(H,28,35)(H,29,36)(H,30,34)/t16?,17?,18?,19-,20-,21?,22?,27?/m0/s1
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 53n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172737
PNG
(US9096541, 1549)
Show SMILES Cc1ncsc1CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |c:45|
Show InChI InChI=1S/C35H45N5O2S/c1-25-33(43-24-37-25)23-39(28-13-7-3-8-14-28)34(41)20-19-32(26-11-5-2-6-12-26)40-22-27-21-30(17-18-31(27)38-35(40)36)42-29-15-9-4-10-16-29/h4,9-10,15-18,21,24,26,28,32H,2-3,5-8,11-14,19-20,22-23H2,1H3,(H2,36,38)
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 53n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172749
PNG
(US9096541, 6212)
Show SMILES CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O
Show InChI InChI=1S/C35H46N4O5/c1-23(2)21-37-34(43)32(25(4)40)36-22-31(41)30(19-26-13-8-6-9-14-26)38-33(42)28-17-12-18-29(20-28)35(44)39(5)24(3)27-15-10-7-11-16-27/h6-18,20,23-25,30-32,36,40-41H,19,21-22H2,1-5H3,(H,37,43)(H,38,42)
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 63.1n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172738
PNG
(US9096541, 1589)
Show SMILES Cc1oncc1CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |c:45|
Show InChI InChI=1S/C35H45N5O3/c1-25-28(22-37-43-25)24-39(29-13-7-3-8-14-29)34(41)20-19-33(26-11-5-2-6-12-26)40-23-27-21-31(17-18-32(27)38-35(40)36)42-30-15-9-4-10-16-30/h4,9-10,15-18,21-22,26,29,33H,2-3,5-8,11-14,19-20,23-24H2,1H3,(H2,36,38)
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 70n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172751
PNG
(US9096541, 6512)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C
Show InChI InChI=1S/C33H48N4O6/c1-5-11-27(38)30(32(41)35-20-22(2)3)34-21-28(39)26(18-23-12-7-6-8-13-23)36-31(40)24-14-9-15-25(19-24)33(42)37-17-10-16-29(37)43-4/h6-9,12-15,19,22,26-30,34,38-39H,5,10-11,16-18,20-21H2,1-4H3,(H,35,41)(H,36,40)
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 76.6n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172743
PNG
(US9096541, 711)
Show SMILES CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NC(C)c1ccc(I)cc1)N(C)S(C)(=O)=O)C(C)O
Show InChI InChI=1S/C36H48IN5O7S/c1-22(2)20-39-36(47)33(24(4)43)38-21-32(44)31(16-25-10-8-7-9-11-25)41-35(46)28-17-27(18-30(19-28)42(5)50(6,48)49)34(45)40-23(3)26-12-14-29(37)15-13-26/h7-15,17-19,22-24,31-33,38,43-44H,16,20-21H2,1-6H3,(H,39,47)(H,40,45)(H,41,46)
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 89n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172731
PNG
(US9096541, 5511)
Show SMILES CCc1cn2CC3(CC3)S(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(COC)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C36H41F3N4O5S/c1-4-24-20-43-22-35(13-14-35)49(46,47)42(2)31-18-26(17-28(24)33(31)43)34(45)41-29(15-23-9-6-5-7-10-23)32(44)19-40-30(21-48-3)25-11-8-12-27(16-25)36(37,38)39/h5-12,16-18,20,29-30,32,40,44H,4,13-15,19,21-22H2,1-3H3,(H,41,45)/t29-,30?,32+/m0/s1
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 199n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM172751
PNG
(US9096541, 6512)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C
Show InChI InChI=1S/C33H48N4O6/c1-5-11-27(38)30(32(41)35-20-22(2)3)34-21-28(39)26(18-23-12-7-6-8-13-23)36-31(40)24-14-9-15-25(19-24)33(42)37-17-10-16-29(37)43-4/h6-9,12-15,19,22,26-30,34,38-39H,5,10-11,16-18,20-21H2,1-4H3,(H,35,41)(H,36,40)
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 267n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172735
PNG
(US9096541, 1110)
Show SMILES COCC(NC(=O)OCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C(=O)N(C)C |c:34|
Show InChI InChI=1S/C29H39N5O5/c1-33(2)27(35)25(18-37-3)32-29(36)38-19-26(20-10-6-4-7-11-20)34-17-21-16-23(14-15-24(21)31-28(34)30)39-22-12-8-5-9-13-22/h5,8-9,12-16,20,25-26H,4,6-7,10-11,17-19H2,1-3H3,(H2,30,31)(H,32,36)
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 350n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172748
PNG
(US9096541, 5211)
Show SMILES CCc1cn2CC3(CC3)S(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)C(O)CNCc1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C34H37F3N4O4S/c1-3-24-20-41-21-33(12-13-33)46(44,45)40(2)29-17-25(16-27(24)31(29)41)32(43)39-28(15-22-8-5-4-6-9-22)30(42)19-38-18-23-10-7-11-26(14-23)34(35,36)37/h4-11,14,16-17,20,28,30,38,42H,3,12-13,15,18-19,21H2,1-2H3,(H,39,43)/t28-,30?/m0/s1
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 521n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM172740
PNG
(US9096541, 113)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
Show InChI InChI=1S/C38H52N4O5/c1-7-14-33(43)35(37(46)40-23-25(2)3)39-24-34(44)32(21-28-15-10-8-11-16-28)41-36(45)30-19-26(4)20-31(22-30)38(47)42(6)27(5)29-17-12-9-13-18-29/h8-13,15-20,22,25,27,32-35,39,43-44H,7,14,21,23-24H2,1-6H3,(H,40,46)(H,41,45)
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 564n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM172742
PNG
(US9096541, 213)
Show SMILES CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O
Show InChI InChI=1S/C36H48N4O5/c1-23(2)21-38-35(44)33(26(5)41)37-22-32(42)31(19-27-13-9-7-10-14-27)39-34(43)29-17-24(3)18-30(20-29)36(45)40(6)25(4)28-15-11-8-12-16-28/h7-18,20,23,25-26,31-33,37,41-42H,19,21-22H2,1-6H3,(H,38,44)(H,39,43)
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 1.66E+3n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM172750
PNG
(US9096541, 6412)
Show SMILES CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
Show InChI InChI=1S/C37H50N4O5/c1-6-14-32(42)34(36(45)39-23-25(2)3)38-24-33(43)31(21-27-15-9-7-10-16-27)40-35(44)29-19-13-20-30(22-29)37(46)41(5)26(4)28-17-11-8-12-18-28/h7-13,15-20,22,25-26,31-34,38,42-43H,6,14,21,23-24H2,1-5H3,(H,39,45)(H,40,44)
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 5.25E+3n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM172749
PNG
(US9096541, 6212)
Show SMILES CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O
Show InChI InChI=1S/C35H46N4O5/c1-23(2)21-37-34(43)32(25(4)40)36-22-31(41)30(19-26-13-8-6-9-14-26)38-33(42)28-17-12-18-29(20-28)35(44)39(5)24(3)27-15-10-7-11-16-27/h6-18,20,23-25,30-32,36,40-41H,19,21-22H2,1-5H3,(H,37,43)(H,38,42)
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 5.81E+3n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172733
PNG
(US9096541, 910)
Show SMILES CC(C)CN1CCNC(C1)C(O)C(Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NC(C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C35H47N5O5S/c1-24(2)22-40-17-16-36-32(23-40)33(41)31(18-26-12-8-6-9-13-26)38-35(43)29-19-28(20-30(21-29)39(4)46(5,44)45)34(42)37-25(3)27-14-10-7-11-15-27/h6-15,19-21,24-25,31-33,36,41H,16-18,22-23H2,1-5H3,(H,37,42)(H,38,43)
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 6.06E+3n/an/an/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172745
PNG
(US9096541, 2611)
Show SMILES COc1cccc(c1)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NC(C)c1ccccc1)N(C)S(C)(=O)=O)C(C)O
Show InChI InChI=1S/C38H46N4O7S/c1-25(28-15-10-7-11-16-28)40-37(45)30-20-31(22-32(21-30)42(3)50(5,47)48)38(46)41-34(19-27-13-8-6-9-14-27)35(44)24-39-36(26(2)43)29-17-12-18-33(23-29)49-4/h6-18,20-23,25-26,34-36,39,43-44H,19,24H2,1-5H3,(H,40,45)(H,41,46)
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n/an/a 350n/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172744
PNG
(US9096541, 2211)
Show SMILES CC(CN1Cc2cc(Oc3ccccc3)ccc2N=C1N)C(=O)NCCC(C)(C)C |c:20|
Show InChI InChI=1S/C24H32N4O2/c1-17(22(29)26-13-12-24(2,3)4)15-28-16-18-14-20(10-11-21(18)27-23(28)25)30-19-8-6-5-7-9-19/h5-11,14,17H,12-13,15-16H2,1-4H3,(H2,25,27)(H,26,29)
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n/an/a 500n/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM172739
PNG
(US9096541, 111)
Show SMILES COc1ccc(cc1)C(C(C)O)C(Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NC(C)c1ccccc1)N(C)S(C)(=O)=O
Show InChI InChI=1S/C36H41N3O6S/c1-24(27-14-10-7-11-15-27)37-35(41)29-21-30(23-31(22-29)39(3)46(5,43)44)36(42)38-33(20-26-12-8-6-9-13-26)34(25(2)40)28-16-18-32(45-4)19-17-28/h6-19,21-25,33-34,40H,20H2,1-5H3,(H,37,41)(H,38,42)
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n/an/a 700n/an/an/an/an/an/a



Oklahoma Medical Research Foundation; Purdue Research Foundation

US Patent


Assay Description
Previously, one of the following compounds discussed below have been studied in memapsin 2 inhibition (Ghosh et al., 2008), which the others are prev...

US Patent US9096541 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KF4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%