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Patent code US9353089

Compile Data Set for Download or QSAR
Found 180 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
Plasmepsin 2


(Plasmodium falciparum)
BDBM234547
PNG
(US9353089, 304)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C(F)(F)F)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H22F3N3O3/c1-33-19-11-7-17(8-12-19)24(18-9-13-20(34-2)14-10-18)22(32)31(23(29)30-24)15-16-5-3-4-6-21(16)25(26,27)28/h3-14H,15H2,1-2H3,(H2,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.88n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234542
PNG
(US9353089, 276)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H33N3O3/c1-33-23-7-3-21(4-8-23)28(22-5-9-24(34-2)10-6-22)25(32)31(26(29)30-28)17-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H2,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234565
PNG
(US9353089, 311)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)c2ccccc2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H30N4O4/c1-36-24-12-8-21(9-13-24)29(22-10-14-25(37-2)15-11-22)27(35)33(28(30)31-29)23-16-18-32(19-17-23)26(34)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3,(H2,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
PDB
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PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234537
PNG
(US9353089, 238)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C27H27N3O2/c28-26-29-27(20-11-4-1-5-12-20,25(31)30(26)22-14-6-2-7-15-22)21-13-10-18-24(19-21)32-23-16-8-3-9-17-23/h1,3-5,8-13,16-19,22H,2,6-7,14-15H2,(H2,28,29)
PDB
MMDB

KEGG

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PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234534
PNG
(US9353089, 220)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H29N3O3/c1-29-20-13-9-17(10-14-20)24(18-11-15-21(30-2)16-12-18)22(28)27(23(25)26-24)19-7-5-3-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H2,25,26)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 2.37n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234535
PNG
(US9353089, 221)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H29N3O3/c1-29-20-12-8-18(9-13-20)24(19-10-14-21(30-2)15-11-19)22(28)27(23(25)26-24)16-17-6-4-3-5-7-17/h8-15,17H,3-7,16H2,1-2H3,(H2,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.39n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234544
PNG
(US9353089, 278)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2c(C)cccc2C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H27N3O3/c1-17-6-5-7-18(2)23(17)16-29-24(30)26(28-25(29)27,19-8-12-21(31-3)13-9-19)20-10-14-22(32-4)15-11-20/h5-15H,16H2,1-4H3,(H2,27,28)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 2.76n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.76n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234536
PNG
(US9353089, 228)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C28H29N3O2/c29-27-30-28(22-13-6-2-7-14-22,26(32)31(27)24-16-8-3-9-17-24)23-15-10-18-25(19-23)33-20-21-11-4-1-5-12-21/h1-2,4-7,10-15,18-19,24H,3,8-9,16-17,20H2,(H2,29,30)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.89n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234546
PNG
(US9353089, 303)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H25N3O3/c1-17-6-4-5-7-18(17)16-28-23(29)25(27-24(28)26,19-8-12-21(30-2)13-9-19)20-10-14-22(31-3)15-11-20/h4-15H,16H2,1-3H3,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 3.96n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234543
PNG
(US9353089, 277)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2cccc(C)c2C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H27N3O3/c1-17-6-5-7-19(18(17)2)16-29-24(30)26(28-25(29)27,20-8-12-22(31-3)13-9-20)21-10-14-23(32-4)15-11-21/h5-15H,16H2,1-4H3,(H2,27,28)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 4.39n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234539
PNG
(US9353089, 252)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H27N3O3/c1-21(2,3)14-25-19(26)22(24-20(25)23,15-6-10-17(27-4)11-7-15)16-8-12-18(28-5)13-9-16/h6-13H,14H2,1-5H3,(H2,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.28n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234529
PNG
(US9353089, 210)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C27H28N4O2/c1-33-23-15-13-20(14-16-23)27(21-9-7-8-19(18-21)24-12-5-6-17-29-24)25(32)31(26(28)30-27)22-10-3-2-4-11-22/h5-9,12-18,22H,2-4,10-11H2,1H3,(H2,28,30)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 5.47n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234564
PNG
(US9353089, 310)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(C)=O)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N4O4/c1-16(29)27-14-12-19(13-15-27)28-22(30)24(26-23(28)25,17-4-8-20(31-2)9-5-17)18-6-10-21(32-3)11-7-18/h4-11,19H,12-15H2,1-3H3,(H2,25,26)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 5.84n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234508
PNG
(US9353089, 155)
Show SMILES Clc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21Cl2N3O/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(27)26(20(24)25-21)18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,24,25)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.81n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234510
PNG
(US9353089, 157)
Show SMILES CCOc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OCC)cc1
Show InChI InChI=1S/C25H31N3O3/c1-3-30-21-14-10-18(11-15-21)25(19-12-16-22(17-13-19)31-4-2)23(29)28(24(26)27-25)20-8-6-5-7-9-20/h10-17,20H,3-9H2,1-2H3,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.87n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 6.97n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


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More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
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n/an/a 7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
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n/an/a 7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
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n/an/a 7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234513
PNG
(US9353089, 162)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H23N3O3/c1-29-20-12-8-18(9-13-20)24(19-10-14-21(30-2)15-11-19)22(28)27(23(25)26-24)16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H2,25,26)
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n/an/a 7.30n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234567
PNG
(US9353089, 305)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H22N4O3/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(30)29(24(27)28-25)16-18-6-4-3-5-17(18)15-26/h3-14H,16H2,1-2H3,(H2,27,28)
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n/an/a 9.30n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234533
PNG
(US9353089, 219)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2cccnc2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H22N4O3/c1-29-19-9-5-17(6-10-19)23(18-7-11-20(30-2)12-8-18)21(28)27(22(24)26-23)15-16-4-3-13-25-14-16/h3-14H,15H2,1-2H3,(H2,24,26)
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n/an/a 9.62n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234518
PNG
(US9353089, 172)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-12-10-21(11-13-24)27(22-7-5-6-20(18-22)19-14-16-29-17-15-19)25(32)31(26(28)30-27)23-8-3-2-4-9-23/h5-7,10-18,23H,2-4,8-9H2,1H3,(H2,28,30)
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n/an/a 9.64n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234507
PNG
(US9353089, 154)
Show SMILES Brc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H21Br2N3O/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(27)26(20(24)25-21)18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,24,25)
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n/an/a 9.90n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
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n/an/a 10n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234504
PNG
(US9353089, 141)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-27-19-14-12-17(13-15-19)22(16-8-4-2-5-9-16)20(26)25(21(23)24-22)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H2,23,24)
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n/an/a 10.6n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234549
PNG
(US9353089, 313)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N4O5/c1-27(2,3)37-26(34)31-16-14-19(15-17-31)18-32-24(33)28(30-25(32)29,20-6-10-22(35-4)11-7-20)21-8-12-23(36-5)13-9-21/h6-13,19H,14-18H2,1-5H3,(H2,29,30)
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n/an/a 11n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234551
PNG
(US9353089, 324)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)
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n/an/a 11.3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234551
PNG
(US9353089, 324)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)
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n/an/a 11.3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234540
PNG
(US9353089, 274)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCCO2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-17-9-5-15(6-10-17)22(16-7-11-18(28-2)12-8-16)20(26)25(21(23)24-22)14-19-4-3-13-29-19/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,24)
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n/an/a 11.4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234521
PNG
(US9353089, 177)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-33-25-17-15-22(16-18-25)28(23-12-8-11-21(19-23)20-9-4-2-5-10-20)26(32)31(27(29)30-28)24-13-6-3-7-14-24/h2,4-5,8-12,15-19,24H,3,6-7,13-14H2,1H3,(H2,29,30)
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n/an/a 11.7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234532
PNG
(US9353089, 214)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-6-11-22(17-24)27(21-10-5-8-19(16-21)20-9-7-15-29-18-20)25(32)31(26(28)30-27)23-12-3-2-4-13-23/h5-11,14-18,23H,2-4,12-13H2,1H3,(H2,28,30)
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n/an/a 12n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234576
PNG
(US9353089, Table 8, Compound 1)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
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n/an/a 12n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234531
PNG
(US9353089, 212)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O/c28-26-29-27(22-14-6-2-7-15-22,25(31)30(26)24-17-8-3-9-18-24)23-16-10-13-21(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24H,3,8-9,17-18H2,(H2,28,29)
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n/an/a 12.3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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n/an/a 13n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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n/an/a 13n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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n/an/a 13n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


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More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234509
PNG
(US9353089, 156)
Show SMILES Cc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H27N3O/c1-16-8-12-18(13-9-16)23(19-14-10-17(2)11-15-19)21(27)26(22(24)25-23)20-6-4-3-5-7-20/h8-15,20H,3-7H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 14n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234530
PNG
(US9353089, 211)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-9-3-1-4-10-21,24(31)30(25)23-12-5-2-6-13-23)22-11-7-8-20(18-22)19-14-16-28-17-15-19/h1,3-4,7-11,14-18,23H,2,5-6,12-13H2,(H2,27,29)
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US Patent
n/an/a 14.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234525
PNG
(US9353089, 203)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccncc2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H22N4O3/c1-29-19-7-3-17(4-8-19)23(18-5-9-20(30-2)10-6-18)21(28)27(22(24)26-23)15-16-11-13-25-14-12-16/h3-14H,15H2,1-2H3,(H2,24,26)
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US Patent
n/an/a 14.9n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 15n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 16.9n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
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n/an/a 17n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
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US Patent
n/an/a 18n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234566
PNG
(US9353089, 322)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)CCN(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H35N5O4/c1-30(2)16-15-24(33)31-17-13-21(14-18-31)32-25(34)27(29-26(32)28,19-5-9-22(35-3)10-6-19)20-7-11-23(36-4)12-8-20/h5-12,21H,13-18H2,1-4H3,(H2,28,29)
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US Patent
n/an/a 20.2n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234506
PNG
(US9353089, 153)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-27-19-14-8-11-17(15-19)22(16-9-4-2-5-10-16)20(26)25(21(23)24-22)18-12-6-3-7-13-18/h2,4-5,8-11,14-15,18H,3,6-7,12-13H2,1H3,(H2,23,24)
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n/an/a 24.9n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234512
PNG
(US9353089, 159)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O3/c1-27-18-11-7-15(8-12-18)22(16-9-13-19(28-2)14-10-16)20(26)25(21(23)24-22)17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3,(H2,23,24)
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US Patent
n/an/a 25.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234538
PNG
(US9353089, 248)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2OC)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H25N3O4/c1-30-20-12-8-18(9-13-20)25(19-10-14-21(31-2)15-11-19)23(29)28(24(26)27-25)16-17-6-4-5-7-22(17)32-3/h4-15H,16H2,1-3H3,(H2,26,27)
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US Patent
n/an/a 28n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234498
PNG
(US9353089, 100)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(25)24(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23)
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n/an/a 28.7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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n/an/a 31n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234553
PNG
(US9353089, 326)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-33-25-17-9-11-21(19-25)20-10-8-14-23(18-20)28(22-12-4-2-5-13-22)26(32)31(27(29)30-28)24-15-6-3-7-16-24/h2,4-5,8-14,17-19,24H,3,6-7,15-16H2,1H3,(H2,29,30)
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US Patent
n/an/a 33.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234553
PNG
(US9353089, 326)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-33-25-17-9-11-21(19-25)20-10-8-14-23(18-20)28(22-12-4-2-5-13-22)26(32)31(27(29)30-28)24-15-6-3-7-16-24/h2,4-5,8-14,17-19,24H,3,6-7,15-16H2,1H3,(H2,29,30)
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n/an/a 33.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234499
PNG
(US9353089, 102)
Show SMILES N=C1NC(C(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19N3O/c23-21-24-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)20(26)25(21)16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,23,24)
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n/an/a 33.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234514
PNG
(US9353089, 166)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(C)CC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N4O3/c1-26-14-12-18(13-15-26)27-21(28)23(25-22(27)24,16-4-8-19(29-2)9-5-16)17-6-10-20(30-3)11-7-17/h4-11,18H,12-15H2,1-3H3,(H2,24,25)
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n/an/a 34.7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234514
PNG
(US9353089, 166)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(C)CC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N4O3/c1-26-14-12-18(13-15-26)27-21(28)23(25-22(27)24,16-4-8-19(29-2)9-5-16)17-6-10-20(30-3)11-7-17/h4-11,18H,12-15H2,1-3H3,(H2,24,25)
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n/an/a 35n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
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n/an/a 35.9n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
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n/an/a 36n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
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n/an/a 41n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234576
PNG
(US9353089, Table 8, Compound 1)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
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n/an/a 45n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234545
PNG
(US9353089, 302)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ncccc2C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H24N4O3/c1-16-5-4-14-26-21(16)15-28-22(29)24(27-23(28)25,17-6-10-19(30-2)11-7-17)18-8-12-20(31-3)13-9-18/h4-14H,15H2,1-3H3,(H2,25,27)
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n/an/a 48.8n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234572
PNG
(US9353089, 491)
Show SMILES COc1ccc(cc1-c1cccc(c1)C#N)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C25H26N4O3/c1-31-22-8-7-19(14-21(22)17-4-2-3-16(13-17)15-26)25(18-5-6-18)23(30)29(24(27)28-25)20-9-11-32-12-10-20/h2-4,7-8,13-14,18,20H,5-6,9-12H2,1H3,(H2,27,28)
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n/an/a 51.7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234519
PNG
(US9353089, 173)
Show SMILES COc1ccc(cc1OC)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C25H31N3O5/c1-30-19-12-10-16(14-21(19)32-3)25(17-11-13-20(31-2)22(15-17)33-4)23(29)28(24(26)27-25)18-8-6-5-7-9-18/h10-15,18H,5-9H2,1-4H3,(H2,26,27)
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n/an/a 54.7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234523
PNG
(US9353089, 201)
Show SMILES FC(F)(F)Oc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H21F6N3O3/c24-22(25,26)34-17-10-6-14(7-11-17)21(15-8-12-18(13-9-15)35-23(27,28)29)19(33)32(20(30)31-21)16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H2,30,31)
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n/an/a 55.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


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More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234500
PNG
(US9353089, 105)
Show SMILES COc1cccc(c1)C1(NC(=N)N(Cc2ccccc2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C24H23N3O3/c1-29-20-12-6-10-18(14-20)24(19-11-7-13-21(15-19)30-2)22(28)27(23(25)26-24)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H2,25,26)
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n/an/a 57.4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234558
PNG
(US9353089, 331)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C21H29N3O3/c1-26-18-9-7-16(8-10-18)21(15-5-3-2-4-6-15)19(25)24(20(22)23-21)17-11-13-27-14-12-17/h7-10,15,17H,2-6,11-14H2,1H3,(H2,22,23)
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n/an/a 58.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


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More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
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n/an/a 59n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234526
PNG
(US9353089, 204)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C21H23N3O3/c1-26-17-10-6-14(7-11-17)21(15-8-12-18(27-2)13-9-15)19(25)24(20(22)23-21)16-4-3-5-16/h6-13,16H,3-5H2,1-2H3,(H2,22,23)
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n/an/a 67.4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234568
PNG
(US9353089, 447)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C22H31N3O2/c1-27-19-14-12-17(13-15-19)22(16-8-4-2-5-9-16)20(26)25(21(23)24-22)18-10-6-3-7-11-18/h12-16,18H,2-11H2,1H3,(H2,23,24)
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n/an/a 67.4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234550
PNG
(US9353089, 323)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C20H22N4O3/c1-26-17-6-4-14(5-7-17)20(15-3-2-10-22-13-15)18(25)24(19(21)23-20)16-8-11-27-12-9-16/h2-7,10,13,16H,8-9,11-12H2,1H3,(H2,21,23)
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n/an/a 74.3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234548
PNG
(US9353089, 308)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCN(C)CC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H30N4O3/c1-27-14-12-17(13-15-27)16-28-22(29)24(26-23(28)25,18-4-8-20(30-2)9-5-18)19-6-10-21(31-3)11-7-19/h4-11,17H,12-16H2,1-3H3,(H2,25,26)
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n/an/a 75.4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234556
PNG
(US9353089, 329)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26)
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n/an/a 83.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234556
PNG
(US9353089, 329)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26)
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n/an/a 83.1n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234561
PNG
(US9353089, 334)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccncc1
Show InChI InChI=1S/C20H22N4O3/c1-26-17-4-2-14(3-5-17)20(15-6-10-22-11-7-15)18(25)24(19(21)23-20)16-8-12-27-13-9-16/h2-7,10-11,16H,8-9,12-13H2,1H3,(H2,21,23)
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n/an/a 85.9n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234562
PNG
(US9353089, 335)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCC1
Show InChI InChI=1S/C20H27N3O3/c1-25-17-8-6-15(7-9-17)20(14-4-2-3-5-14)18(24)23(19(21)22-20)16-10-12-26-13-11-16/h6-9,14,16H,2-5,10-13H2,1H3,(H2,21,22)
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n/an/a 90.7n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234576
PNG
(US9353089, Table 8, Compound 1)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
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n/an/a 99n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234555
PNG
(US9353089, 328)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C25H29N3O2/c1-30-22-12-6-8-18(16-22)17-7-5-9-20(15-17)25(19-13-14-19)23(29)28(24(26)27-25)21-10-3-2-4-11-21/h5-9,12,15-16,19,21H,2-4,10-11,13-14H2,1H3,(H2,26,27)
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n/an/a 104n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234555
PNG
(US9353089, 328)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C25H29N3O2/c1-30-22-12-6-8-18(16-22)17-7-5-9-20(15-17)25(19-13-14-19)23(29)28(24(26)27-25)21-10-3-2-4-11-21/h5-9,12,15-16,19,21H,2-4,10-11,13-14H2,1H3,(H2,26,27)
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n/an/a 104n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234514
PNG
(US9353089, 166)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(C)CC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N4O3/c1-26-14-12-18(13-15-26)27-21(28)23(25-22(27)24,16-4-8-19(29-2)9-5-16)17-6-10-20(30-3)11-7-17/h4-11,18H,12-15H2,1-3H3,(H2,24,25)
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n/an/a 109n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234516
PNG
(US9353089, 168)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C22H25N3O3/c1-27-18-11-5-7-15(13-18)22(16-8-6-12-19(14-16)28-2)20(26)25(21(23)24-22)17-9-3-4-10-17/h5-8,11-14,17H,3-4,9-10H2,1-2H3,(H2,23,24)
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n/an/a 110n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234522
PNG
(US9353089, 198)
Show SMILES N=C1NC(C(=O)N1C1CCOCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21N3O2/c21-19-22-20(15-7-3-1-4-8-15,16-9-5-2-6-10-16)18(24)23(19)17-11-13-25-14-12-17/h1-10,17H,11-14H2,(H2,21,22)
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n/an/a 118n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


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More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234575
PNG
(US9353089, 517)
Show SMILES N=C1NC(C2CCCCC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C25H30N4O2/c26-24-28-25(20-8-2-1-3-9-20,23(30)29(24)22-11-14-31-15-12-22)21-10-4-6-18(16-21)19-7-5-13-27-17-19/h4-7,10,13,16-17,20,22H,1-3,8-9,11-12,14-15H2,(H2,26,28)
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US Patent
n/an/a 125n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234573
PNG
(US9353089, 512)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C23H26N4O/c24-22-26-23(18-11-12-18,21(28)27(22)20-9-2-1-3-10-20)19-8-4-6-16(14-19)17-7-5-13-25-15-17/h4-8,13-15,18,20H,1-3,9-12H2,(H2,24,26)
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n/an/a 126n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234528
PNG
(US9353089, 207)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCNCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O3/c1-28-18-7-3-15(4-8-18)22(16-5-9-19(29-2)10-6-16)20(27)26(21(23)25-22)17-11-13-24-14-12-17/h3-10,17,24H,11-14H2,1-2H3,(H2,23,25)
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n/an/a 192n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234571
PNG
(US9353089, 489)
Show SMILES Clc1cncc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C22H23ClN4O2/c23-18-11-15(12-25-13-18)14-2-1-3-17(10-14)22(16-4-5-16)20(28)27(21(24)26-22)19-6-8-29-9-7-19/h1-3,10-13,16,19H,4-9H2,(H2,24,26)
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n/an/a 211n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234559
PNG
(US9353089, 332)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccn1
Show InChI InChI=1S/C20H22N4O3/c1-26-16-7-5-14(6-8-16)20(17-4-2-3-11-22-17)18(25)24(19(21)23-20)15-9-12-27-13-10-15/h2-8,11,15H,9-10,12-13H2,1H3,(H2,21,23)
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n/an/a 216n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234574
PNG
(US9353089, 513)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cncc(c1)C#N
Show InChI InChI=1S/C24H25N5O/c25-13-16-11-18(15-27-14-16)17-5-4-6-20(12-17)24(19-9-10-19)22(30)29(23(26)28-24)21-7-2-1-3-8-21/h4-6,11-12,14-15,19,21H,1-3,7-10H2,(H2,26,28)
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n/an/a 219n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
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n/an/a 233n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234554
PNG
(US9353089, 327)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)c1ccccc1
Show InChI InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)
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n/an/a 240n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234557
PNG
(US9353089, 330)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22)
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n/an/a 278n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234576
PNG
(US9353089, Table 8, Compound 1)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
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n/an/a 385n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234511
PNG
(US9353089, 158)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H21N3O3/c1-25-16-9-3-13(4-10-16)20(14-5-11-17(26-2)12-6-14)18(24)23(15-7-8-15)19(21)22-20/h3-6,9-12,15H,7-8H2,1-2H3,(H2,21,22)
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n/an/a 392n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234554
PNG
(US9353089, 327)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)c1ccccc1
Show InChI InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)
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n/an/a 392n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasmepsin 2


(Plasmodium falciparum)
BDBM234563
PNG
(US9353089, 336)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cnn(C)c1
Show InChI InChI=1S/C19H23N5O3/c1-23-12-14(11-21-23)19(13-3-5-16(26-2)6-4-13)17(25)24(18(20)22-19)15-7-9-27-10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H2,20,22)
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n/an/a 395n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234552
PNG
(US9353089, 325)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C18H23N3O3/c1-23-15-6-4-13(5-7-15)18(12-2-3-12)16(22)21(17(19)20-18)14-8-10-24-11-9-14/h4-7,12,14H,2-3,8-11H2,1H3,(H2,19,20)
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n/an/a 426n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234570
PNG
(US9353089, 488)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cncc(c1)C#N
Show InChI InChI=1S/C23H23N5O2/c24-12-15-10-17(14-26-13-15)16-2-1-3-19(11-16)23(18-4-5-18)21(29)28(22(25)27-23)20-6-8-30-9-7-20/h1-3,10-11,13-14,18,20H,4-9H2,(H2,25,27)
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n/an/a 443n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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n/an/a 449n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The cytochrome P450 inhibitory potentials of compounds for human recombinant CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A were determined using Vivid C...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234528
PNG
(US9353089, 207)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCNCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O3/c1-28-18-7-3-15(4-8-18)22(16-5-9-19(29-2)10-6-16)20(27)26(21(23)25-22)17-11-13-24-14-12-17/h3-10,17,24H,11-14H2,1-2H3,(H2,23,25)
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n/an/a 505n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234528
PNG
(US9353089, 207)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCNCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O3/c1-28-18-7-3-15(4-8-18)22(16-5-9-19(29-2)10-6-16)20(27)26(21(23)25-22)17-11-13-24-14-12-17/h3-10,17,24H,11-14H2,1-2H3,(H2,23,25)
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n/an/a 505n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
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n/an/a 511n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234569
PNG
(US9353089, 487)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H24N4O2/c23-21-25-22(17-6-7-17,20(27)26(21)19-8-11-28-12-9-19)18-5-1-3-15(13-18)16-4-2-10-24-14-16/h1-5,10,13-14,17,19H,6-9,11-12H2,(H2,23,25)
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n/an/a 512n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
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n/an/a 520n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234560
PNG
(US9353089, 333)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cncnc1
Show InChI InChI=1S/C19H21N5O3/c1-26-16-4-2-13(3-5-16)19(14-10-21-12-22-11-14)17(25)24(18(20)23-19)15-6-8-27-9-7-15/h2-5,10-12,15H,6-9H2,1H3,(H2,20,23)
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n/an/a 639n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234557
PNG
(US9353089, 330)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)C1CC1
Show InChI InChI=1S/C20H21N3O2/c1-23-18(24)20(15-9-10-15,22-19(23)21)16-7-3-5-13(11-16)14-6-4-8-17(12-14)25-2/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22)
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n/an/a 751n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
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n/an/a 841n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
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n/an/a 934n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234502
PNG
(US9353089, 135)
Show SMILES CN1C(=N)NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234571
PNG
(US9353089, 489)
Show SMILES Clc1cncc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C22H23ClN4O2/c23-18-11-15(12-25-13-18)14-2-1-3-17(10-14)22(16-4-5-16)20(28)27(21(24)26-22)19-6-8-29-9-7-19/h1-3,10-13,16,19H,4-9H2,(H2,24,26)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 1.19E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234502
PNG
(US9353089, 135)
Show SMILES CN1C(=N)NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C21H18N4O/c1-25-19(26)21(24-20(25)22,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-23-14-16/h2-14H,1H3,(H2,22,24)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234505
PNG
(US9353089, 142)
Show SMILES N=C1NC(C(=O)N1C1CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H17N3O/c19-17-20-18(13-7-3-1-4-8-13,14-9-5-2-6-10-14)16(22)21(17)15-11-12-15/h1-10,15H,11-12H2,(H2,19,20)
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n/an/a 1.79E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 1.86E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234541
PNG
(US9353089, 275)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O4/c1-28-19-7-3-17(4-8-19)23(18-5-9-20(29-2)10-6-18)21(27)26(22(24)25-23)15-16-11-13-30-14-12-16/h3-10,16H,11-15H2,1-2H3,(H2,24,25)
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n/an/a 2.07E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234549
PNG
(US9353089, 313)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H36N4O5/c1-27(2,3)37-26(34)31-16-14-19(15-17-31)18-32-24(33)28(30-25(32)29,20-6-10-22(35-4)11-7-20)21-8-12-23(36-5)13-9-21/h6-13,19H,14-18H2,1-5H3,(H2,29,30)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234576
PNG
(US9353089, Table 8, Compound 1)
Show SMILES CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-19(20-12-6-3-7-13-20)18-28-23(29)25(27-24(28)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,2,18H2,1H3,(H2,26,27)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234551
PNG
(US9353089, 324)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234551
PNG
(US9353089, 324)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234564
PNG
(US9353089, 310)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(C)=O)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H28N4O4/c1-16(29)27-14-12-19(13-15-27)28-22(30)24(26-23(28)25,17-4-8-20(31-2)9-5-17)18-6-10-21(32-3)11-7-18/h4-11,19H,12-15H2,1-3H3,(H2,25,26)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234515
PNG
(US9353089, 167)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C20H21N3O3/c1-25-16-7-3-5-13(11-16)20(14-6-4-8-17(12-14)26-2)18(24)23(15-9-10-15)19(21)22-20/h3-8,11-12,15H,9-10H2,1-2H3,(H2,21,22)
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n/an/a 2.83E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234570
PNG
(US9353089, 488)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cncc(c1)C#N
Show InChI InChI=1S/C23H23N5O2/c24-12-15-10-17(14-26-13-15)16-2-1-3-19(11-16)23(18-4-5-18)21(29)28(22(25)27-23)20-6-8-30-9-7-20/h1-3,10-11,13-14,18,20H,4-9H2,(H2,25,27)
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n/an/a 2.98E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234556
PNG
(US9353089, 329)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26)
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US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234556
PNG
(US9353089, 329)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C24H27N3O3/c1-29-21-7-3-5-17(15-21)16-4-2-6-19(14-16)24(18-8-9-18)22(28)27(23(25)26-24)20-10-12-30-13-11-20/h2-7,14-15,18,20H,8-13H2,1H3,(H2,25,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
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UniProtKB/SwissProt

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US Patent
n/an/a 4.01E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 5.48E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The cytochrome P450 inhibitory potentials of compounds for human recombinant CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A were determined using Vivid C...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234527
PNG
(US9353089, 206)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O5/c1-26(2,3)36-25(33)30-16-14-20(15-17-30)31-23(32)27(29-24(31)28,18-6-10-21(34-4)11-7-18)19-8-12-22(35-5)13-9-19/h6-13,20H,14-17H2,1-5H3,(H2,28,29)
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n/an/a 6.01E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234535
PNG
(US9353089, 221)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H29N3O3/c1-29-20-12-8-18(9-13-20)24(19-10-14-21(30-2)15-11-19)22(28)27(23(25)26-24)16-17-6-4-3-5-7-17/h8-15,17H,3-7,16H2,1-2H3,(H2,25,26)
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n/an/a 6.01E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234574
PNG
(US9353089, 513)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cncc(c1)C#N
Show InChI InChI=1S/C24H25N5O/c25-13-16-11-18(15-27-14-16)17-5-4-6-20(12-17)24(19-9-10-19)22(30)29(23(26)28-24)21-7-2-1-3-8-21/h4-6,11-12,14-15,19,21H,1-3,7-10H2,(H2,26,28)
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n/an/a 6.64E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234567
PNG
(US9353089, 305)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H22N4O3/c1-31-21-11-7-19(8-12-21)25(20-9-13-22(32-2)14-10-20)23(30)29(24(27)28-25)16-18-6-4-3-5-17(18)15-26/h3-14H,16H2,1-2H3,(H2,27,28)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234524
PNG
(US9353089, 202)
Show SMILES Clc1ccccc1C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1Cl
Show InChI InChI=1S/C21H21Cl2N3O/c22-17-12-6-4-10-15(17)21(16-11-5-7-13-18(16)23)19(27)26(20(24)25-21)14-8-2-1-3-9-14/h4-7,10-14H,1-3,8-9H2,(H2,24,25)
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n/an/a 6.75E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234565
PNG
(US9353089, 311)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)c2ccccc2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C29H30N4O4/c1-36-24-12-8-21(9-13-24)29(22-10-14-25(37-2)15-11-22)27(35)33(28(30)31-29)23-16-18-32(19-17-23)26(34)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3,(H2,30,31)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234555
PNG
(US9353089, 328)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C25H29N3O2/c1-30-22-12-6-8-18(16-22)17-7-5-9-20(15-17)25(19-13-14-19)23(29)28(24(26)27-25)21-10-3-2-4-11-21/h5-9,12,15-16,19,21H,2-4,10-11,13-14H2,1H3,(H2,26,27)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234555
PNG
(US9353089, 328)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CC1
Show InChI InChI=1S/C25H29N3O2/c1-30-22-12-6-8-18(16-22)17-7-5-9-20(15-17)25(19-13-14-19)23(29)28(24(26)27-25)21-10-3-2-4-11-21/h5-9,12,15-16,19,21H,2-4,10-11,13-14H2,1H3,(H2,26,27)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
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n/an/a 7.15E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
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n/an/a 7.15E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234542
PNG
(US9353089, 276)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H33N3O3/c1-33-23-7-3-21(4-8-23)28(22-5-9-24(34-2)10-6-22)25(32)31(26(29)30-28)17-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,11-17H2,1-2H3,(H2,29,30)
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n/an/a 7.85E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234572
PNG
(US9353089, 491)
Show SMILES COc1ccc(cc1-c1cccc(c1)C#N)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C25H26N4O3/c1-31-22-8-7-19(14-21(22)17-4-2-3-16(13-17)15-26)25(18-5-6-18)23(30)29(24(27)28-25)20-9-11-32-12-10-20/h2-4,7-8,13-14,18,20H,5-6,9-12H2,1H3,(H2,27,28)
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n/an/a 8.32E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234569
PNG
(US9353089, 487)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H24N4O2/c23-21-25-22(17-6-7-17,20(27)26(21)19-8-11-28-12-9-19)18-5-1-3-15(13-18)16-4-2-10-24-14-16/h1-5,10,13-14,17,19H,6-9,11-12H2,(H2,23,25)
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n/an/a 8.65E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234553
PNG
(US9353089, 326)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-33-25-17-9-11-21(19-25)20-10-8-14-23(18-20)28(22-12-4-2-5-13-22)26(32)31(27(29)30-28)24-15-6-3-7-16-24/h2,4-5,8-14,17-19,24H,3,6-7,15-16H2,1H3,(H2,29,30)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234553
PNG
(US9353089, 326)
Show SMILES COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-33-25-17-9-11-21(19-25)20-10-8-14-23(18-20)28(22-12-4-2-5-13-22)26(32)31(27(29)30-28)24-15-6-3-7-16-24/h2,4-5,8-14,17-19,24H,3,6-7,15-16H2,1H3,(H2,29,30)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234577
PNG
(US9353089, Table 8, Compound 2)
Show SMILES COc1ccc(cc1)C1(NC(=O)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N2O4/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(26)25(22(27)24-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


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


(Homo sapiens (Human))
BDBM234545
PNG
(US9353089, 302)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(Cc2ncccc2C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H24N4O3/c1-16-5-4-14-26-21(16)15-28-22(29)24(27-23(28)25,17-6-10-19(30-2)11-7-17)18-8-12-20(31-3)13-9-18/h4-14H,15H2,1-3H3,(H2,25,27)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234563
PNG
(US9353089, 336)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cnn(C)c1
Show InChI InChI=1S/C19H23N5O3/c1-23-12-14(11-21-23)19(13-3-5-16(26-2)6-4-13)17(25)24(18(20)22-19)15-7-9-27-10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H2,20,22)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234562
PNG
(US9353089, 335)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCC1
Show InChI InChI=1S/C20H27N3O3/c1-25-17-8-6-15(7-9-17)20(14-4-2-3-5-14)18(24)23(19(21)22-20)16-10-12-26-13-11-16/h6-9,14,16H,2-5,10-13H2,1H3,(H2,21,22)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234550
PNG
(US9353089, 323)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cccnc1
Show InChI InChI=1S/C20H22N4O3/c1-26-17-6-4-14(5-7-17)20(15-3-2-10-22-13-15)18(25)24(19(21)23-20)16-8-11-27-12-9-16/h2-7,10,13,16H,8-9,11-12H2,1H3,(H2,21,23)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM234578
PNG
(US9353089, Table 8, Compound 3)
Show SMILES COc1ccc(cc1)C1(NC(=S)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N2O3S/c1-27-19-12-8-16(9-13-19)23(17-10-14-20(28-2)15-11-17)21(26)25(22(29)24-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,24,29)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


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


(Homo sapiens (Human))
BDBM234548
PNG
(US9353089, 308)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(CC2CCN(C)CC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H30N4O3/c1-27-14-12-17(13-15-27)16-28-22(29)24(26-23(28)25,18-4-8-20(30-2)9-5-18)19-6-10-21(31-3)11-7-19/h4-11,17H,12-16H2,1-3H3,(H2,25,26)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin 4 (PM-IV)


(Plasmodium falciparum)
BDBM234577
PNG
(US9353089, Table 8, Compound 2)
Show SMILES COc1ccc(cc1)C1(NC(=O)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H26N2O4/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(26)25(22(27)24-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
Plasmepsin-2 (PM-2; Plm II) and Plasmepsin (PM-4; Plm IV) expression and purification was performed following the published protocols (Istvan E S and...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234566
PNG
(US9353089, 322)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)CCN(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H35N5O4/c1-30(2)16-15-24(33)31-17-13-21(14-18-31)32-25(34)27(29-26(32)28,19-5-9-22(35-3)10-6-19)20-7-11-23(36-4)12-8-20/h5-12,21H,13-18H2,1-4H3,(H2,28,29)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234511
PNG
(US9353089, 158)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C20H21N3O3/c1-25-16-9-3-13(4-10-16)20(14-5-11-17(26-2)12-6-14)18(24)23(15-7-8-15)19(21)22-20/h3-6,9-12,15H,7-8H2,1-2H3,(H2,21,22)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234552
PNG
(US9353089, 325)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
Show InChI InChI=1S/C18H23N3O3/c1-23-15-6-4-13(5-7-15)18(12-2-3-12)16(22)21(17(19)20-18)14-8-10-24-11-9-14/h4-7,12,14H,2-3,8-11H2,1H3,(H2,19,20)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234558
PNG
(US9353089, 331)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C21H29N3O3/c1-26-18-9-7-16(8-10-18)21(15-5-3-2-4-6-15)19(25)24(20(22)23-21)17-11-13-27-14-12-17/h7-10,15,17H,2-6,11-14H2,1H3,(H2,22,23)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234560
PNG
(US9353089, 333)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cncnc1
Show InChI InChI=1S/C19H21N5O3/c1-26-16-4-2-13(3-5-16)19(14-10-21-12-22-11-14)17(25)24(18(20)23-19)15-6-8-27-9-7-15/h2-5,10-12,15H,6-9H2,1H3,(H2,20,23)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234561
PNG
(US9353089, 334)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccncc1
Show InChI InChI=1S/C20H22N4O3/c1-26-17-4-2-14(3-5-17)20(15-6-10-22-11-7-15)18(25)24(19(21)23-20)16-8-12-27-13-9-16/h2-7,10-11,16H,8-9,12-13H2,1H3,(H2,21,23)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The cytochrome P450 inhibitory potentials of compounds for human recombinant CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A were determined using Vivid C...


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More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The cytochrome P450 inhibitory potentials of compounds for human recombinant CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A were determined using Vivid C...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234498
PNG
(US9353089, 100)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H23N3O/c22-20-23-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)19(25)24(20)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2,(H2,22,23)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234559
PNG
(US9353089, 332)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccn1
Show InChI InChI=1S/C20H22N4O3/c1-26-16-7-5-14(6-8-16)20(17-4-2-3-11-22-17)18(25)24(19(21)23-20)15-9-12-27-13-10-15/h2-8,11,15H,9-10,12-13H2,1H3,(H2,21,23)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
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Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234520
PNG
(US9353089, 176)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H25N3O4/c1-27-18-7-3-15(4-8-18)22(16-5-9-19(28-2)10-6-16)20(26)25(21(23)24-22)17-11-13-29-14-12-17/h3-10,17H,11-14H2,1-2H3,(H2,23,24)
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UniChem
US Patent
n/an/a 1.01E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 1.20E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234497
PNG
(US9353089, 117)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-8-16(9-13-19)23(17-10-14-20(29-2)15-11-17)21(27)26(22(24)25-23)18-6-4-3-5-7-18/h8-15,18H,3-7H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 1.20E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234575
PNG
(US9353089, 517)
Show SMILES N=C1NC(C2CCCCC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C25H30N4O2/c26-24-28-25(20-8-2-1-3-9-20,23(30)29(24)22-11-14-31-15-12-22)21-10-4-6-18(16-21)19-7-5-13-27-17-19/h4-7,10,13,16-17,20,22H,1-3,8-9,11-12,14-15H2,(H2,26,28)
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US Patent
n/an/a 1.47E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM234517
PNG
(US9353089, 171)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C27H28N4O2/c1-33-24-14-12-21(13-15-24)27(22-9-5-7-19(17-22)20-8-6-16-29-18-20)25(32)31(26(28)30-27)23-10-3-2-4-11-23/h5-9,12-18,23H,2-4,10-11H2,1H3,(H2,28,30)
PDB
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Reactome pathway
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US Patent
n/an/a 1.49E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234573
PNG
(US9353089, 512)
Show SMILES N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C23H26N4O/c24-22-26-23(18-11-12-18,21(28)27(22)20-9-2-1-3-10-20)19-8-4-6-16(14-19)17-7-5-13-25-15-17/h4-8,13-15,18,20H,1-3,9-12H2,(H2,24,26)
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US Patent
n/an/a 1.68E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234568
PNG
(US9353089, 447)
Show SMILES COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C22H31N3O2/c1-27-19-14-12-17(13-15-19)22(16-8-4-2-5-9-16)20(26)25(21(23)24-22)18-10-6-3-7-11-18/h12-16,18H,2-11H2,1H3,(H2,23,24)
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US Patent
n/an/a 1.73E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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US Patent
n/an/a 1.81E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234503
PNG
(US9353089, 136)
Show SMILES N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C26H26N4O/c27-25-29-26(21-11-3-1-4-12-21,24(31)30(25)23-14-5-2-6-15-23)22-13-7-9-19(17-22)20-10-8-16-28-18-20/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H2,27,29)
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US Patent
n/an/a 1.81E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 2.89E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234501
PNG
(US9353089, 128)
Show SMILES COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
Show InChI InChI=1S/C23H27N3O3/c1-28-19-12-6-8-16(14-19)23(17-9-7-13-20(15-17)29-2)21(27)26(22(24)25-23)18-10-4-3-5-11-18/h6-9,12-15,18H,3-5,10-11H2,1-2H3,(H2,24,25)
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US Patent
n/an/a 2.89E+4n/an/an/an/an/an/a



Saint Louis University; Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

US Patent


Assay Description
The recombinant human BACE1, Cathepsin D, and Cathepsin E enzymes were purchased from R&D Systems (catalog numbers are 931-AS, 1014AS and 1294AS, res...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%