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Patent code US10202418

Compile Data Set for Download or QSAR
Found 29 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
Cathepsin D


(Homo sapiens (Human))
BDBM347308
PNG
(US10202418, Compound A21)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C39H65N5O8/c1-11-26(10)35(38(50)44-34(25(8)9)39(51)52)42-31(46)18-17-30(45)28(21-27-15-13-12-14-16-27)41-37(49)33(24(6)7)43-36(48)29(19-22(2)3)40-32(47)20-23(4)5/h12-16,22-26,28-30,33-35,45H,11,17-21H2,1-10H3,(H,40,47)(H,41,49)(H,42,46)(H,43,48)(H,44,50)(H,51,52)/t26-,28-,29-,30-,33-,34-,35-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM347290
PNG
(US10202418, Compound A2)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C40H67N5O9/c1-13-26(8)34(37(50)45-33(25(6)7)38(51)53-12)43-31(47)20-19-30(46)28(22-27-17-15-14-16-18-27)41-36(49)32(24(4)5)44-35(48)29(21-23(2)3)42-39(52)54-40(9,10)11/h14-18,23-26,28-30,32-34,46H,13,19-22H2,1-12H3,(H,41,49)(H,42,52)(H,43,47)(H,44,48)(H,45,50)/t26-,28-,29-,30-,32-,33-,34-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM347304
PNG
(US10202418, Compound A17 | US10202418, Compound A1...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C43H65N5O8/c1-26(2)22-33(45-37(51)23-27(3)4)40(52)47-38(28(5)6)42(54)46-32(24-30-16-12-10-13-17-30)35(49)20-21-36(50)44-34(25-31-18-14-11-15-19-31)41(53)48-39(29(7)8)43(55)56-9/h10-19,26-29,32-35,38-39,49H,20-25H2,1-9H3,(H,44,50)(H,45,51)(H,46,54)(H,47,52)(H,48,53)/t32-,33-,34-,35-,38-,39-/m0/s1
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n/an/a 255n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347289
PNG
(US10202418, Compound A1)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H64N8O7/c1-11-25(6)34(37(52)43-22-28-21-42-26(7)44-35(28)41)47-32(50)18-17-31(49)29(20-27-15-13-12-14-16-27)45-38(53)33(24(4)5)48-36(51)30(19-23(2)3)46-39(54)55-40(8,9)10/h12-16,21,23-25,29-31,33-34,49H,11,17-20,22H2,1-10H3,(H,43,52)(H,45,53)(H,46,54)(H,47,50)(H,48,51)(H2,41,42,44)/t25-,29-,30-,31-,33-,34-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM347309
PNG
(US10202418, Compound A22)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C37H51F3N4O8/c1-7-23(6)33(35(49)44-32(22(4)5)36(50)51)42-29(46)17-16-28(45)27(19-24-12-9-8-10-13-24)41-34(48)31(21(2)3)43-30(47)20-25-14-11-15-26(18-25)52-37(38,39)40/h8-15,18,21-23,27-28,31-33,45H,7,16-17,19-20H2,1-6H3,(H,41,48)(H,42,46)(H,43,47)(H,44,49)(H,50,51)/t23-,27-,28-,31-,32-,33-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM347289
PNG
(US10202418, Compound A1)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
Show InChI InChI=1S/C40H64N8O7/c1-11-25(6)34(37(52)43-22-28-21-42-26(7)44-35(28)41)47-32(50)18-17-31(49)29(20-27-15-13-12-14-16-27)45-38(53)33(24(4)5)48-36(51)30(19-23(2)3)46-39(54)55-40(8,9)10/h12-16,21,23-25,29-31,33-34,49H,11,17-20,22H2,1-10H3,(H,43,52)(H,45,53)(H,46,54)(H,47,50)(H,48,51)(H2,41,42,44)/t25-,29-,30-,31-,33-,34-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347290
PNG
(US10202418, Compound A2)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C40H67N5O9/c1-13-26(8)34(37(50)45-33(25(6)7)38(51)53-12)43-31(47)20-19-30(46)28(22-27-17-15-14-16-18-27)41-36(49)32(24(4)5)44-35(48)29(21-23(2)3)42-39(52)54-40(9,10)11/h14-18,23-26,28-30,32-34,46H,13,19-22H2,1-12H3,(H,41,49)(H,42,52)(H,43,47)(H,44,48)(H,45,50)/t26-,28-,29-,30-,32-,33-,34-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM347292
PNG
(US10202418, Compound A4)
Show SMILES COc1ccc(OC(F)(F)F)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H42F3N3O6/c1-23(2)33(41-32(44)22-26-21-27(47-35(36,37)38)14-16-30(26)46-3)34(45)40-28(20-25-12-8-5-9-13-25)29(42)15-17-31(43)39-19-18-24-10-6-4-7-11-24/h4-14,16,21,23,28-29,33,42H,15,17-20,22H2,1-3H3,(H,39,43)(H,40,45)(H,41,44)/t28-,29-,33-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM347300
PNG
(US10202418, Compound A13)
Show SMILES CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C39H45N3O4/c1-28(2)37(42-38(45)36(31-19-11-5-12-20-31)32-21-13-6-14-22-32)39(46)41-33(27-30-17-9-4-10-18-30)34(43)23-24-35(44)40-26-25-29-15-7-3-8-16-29/h3-22,28,33-34,36-37,43H,23-27H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-,34-,37-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM347294
PNG
(US10202418, Compound A6)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C39H45N3O5/c1-28(2)38(42-37(45)27-31-17-12-20-33(25-31)47-32-18-10-5-11-19-32)39(46)41-34(26-30-15-8-4-9-16-30)35(43)21-22-36(44)40-24-23-29-13-6-3-7-14-29/h3-20,25,28,34-35,38,43H,21-24,26-27H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t34-,35-,38-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347308
PNG
(US10202418, Compound A21)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C39H65N5O8/c1-11-26(10)35(38(50)44-34(25(8)9)39(51)52)42-31(46)18-17-30(45)28(21-27-15-13-12-14-16-27)41-37(49)33(24(6)7)43-36(48)29(19-22(2)3)40-32(47)20-23(4)5/h12-16,22-26,28-30,33-35,45H,11,17-21H2,1-10H3,(H,40,47)(H,41,49)(H,42,46)(H,43,48)(H,44,50)(H,51,52)/t26-,28-,29-,30-,33-,34-,35-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347303
PNG
(US10202418, Compound A16)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C39H43N3O5/c1-27(2)38(41-36(44)26-29-14-11-18-32(24-29)47-31-16-7-4-8-17-31)39(46)40-33(25-28-12-5-3-6-13-28)35(43)20-21-37(45)42-23-22-30-15-9-10-19-34(30)42/h3-19,24,27,33,35,38,43H,20-23,25-26H2,1-2H3,(H,40,46)(H,41,44)/t33-,35-,38-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347291
PNG
(US10202418, Compound A3)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H40F3N3O5/c1-23(2)32(40-31(43)22-26-14-9-15-27(20-26)45-34(35,36)37)33(44)39-28(21-25-12-7-4-8-13-25)29(41)16-17-30(42)38-19-18-24-10-5-3-6-11-24/h3-15,20,23,28-29,32,41H,16-19,21-22H2,1-2H3,(H,38,42)(H,39,44)(H,40,43)/t28-,29-,32-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347300
PNG
(US10202418, Compound A13)
Show SMILES CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C39H45N3O4/c1-28(2)37(42-38(45)36(31-19-11-5-12-20-31)32-21-13-6-14-22-32)39(46)41-33(27-30-17-9-4-10-18-30)34(43)23-24-35(44)40-26-25-29-15-7-3-8-16-29/h3-22,28,33-34,36-37,43H,23-27H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-,34-,37-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347294
PNG
(US10202418, Compound A6)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C39H45N3O5/c1-28(2)38(42-37(45)27-31-17-12-20-33(25-31)47-32-18-10-5-11-19-32)39(46)41-34(26-30-15-8-4-9-16-30)35(43)21-22-36(44)40-24-23-29-13-6-3-7-14-29/h3-20,25,28,34-35,38,43H,21-24,26-27H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t34-,35-,38-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347296
PNG
(US10202418, Compound A8)
Show SMILES COc1cccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C34H43N3O5/c1-24(2)33(37-32(40)23-27-15-10-16-28(21-27)42-3)34(41)36-29(22-26-13-8-5-9-14-26)30(38)17-18-31(39)35-20-19-25-11-6-4-7-12-25/h4-16,21,24,29-30,33,38H,17-20,22-23H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t29-,30-,33-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347299
PNG
(US10202418, Compound A12)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C37H43N3O4/c1-26(2)36(40-35(43)25-30-18-11-17-29-16-9-10-19-31(29)30)37(44)39-32(24-28-14-7-4-8-15-28)33(41)20-21-34(42)38-23-22-27-12-5-3-6-13-27/h3-19,26,32-33,36,41H,20-25H2,1-2H3,(H,38,42)(H,39,44)(H,40,43)/t32-,33-,36-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347304
PNG
(US10202418, Compound A17 | US10202418, Compound A1...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C43H65N5O8/c1-26(2)22-33(45-37(51)23-27(3)4)40(52)47-38(28(5)6)42(54)46-32(24-30-16-12-10-13-17-30)35(49)20-21-36(50)44-34(25-31-18-14-11-15-19-31)41(53)48-39(29(7)8)43(55)56-9/h10-19,26-29,32-35,38-39,49H,20-25H2,1-9H3,(H,44,50)(H,45,51)(H,46,54)(H,47,52)(H,48,53)/t32-,33-,34-,35-,38-,39-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347302
PNG
(US10202418, Compound A15)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCc1ccccc1
Show InChI InChI=1S/C38H43N3O5/c1-27(2)37(41-36(44)25-30-17-12-20-32(23-30)46-31-18-10-5-11-19-31)38(45)40-33(24-28-13-6-3-7-14-28)34(42)21-22-35(43)39-26-29-15-8-4-9-16-29/h3-20,23,27,33-34,37,42H,21-22,24-26H2,1-2H3,(H,39,43)(H,40,45)(H,41,44)/t33-,34-,37-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347304
PNG
(US10202418, Compound A17 | US10202418, Compound A1...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C43H65N5O8/c1-26(2)22-33(45-37(51)23-27(3)4)40(52)47-38(28(5)6)42(54)46-32(24-30-16-12-10-13-17-30)35(49)20-21-36(50)44-34(25-31-18-14-11-15-19-31)41(53)48-39(29(7)8)43(55)56-9/h10-19,26-29,32-35,38-39,49H,20-25H2,1-9H3,(H,44,50)(H,45,51)(H,46,54)(H,47,52)(H,48,53)/t32-,33-,34-,35-,38-,39-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347306
PNG
(US10202418, Compound A19)
Show SMILES CCOc1cccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)c1
Show InChI InChI=1S/C35H45N3O5/c1-4-43-29-17-11-16-28(22-29)24-33(41)38-34(25(2)3)35(42)37-30(23-27-14-9-6-10-15-27)31(39)18-19-32(40)36-21-20-26-12-7-5-8-13-26/h5-17,22,25,30-31,34,39H,4,18-21,23-24H2,1-3H3,(H,36,40)(H,37,42)(H,38,41)/t30-,31-,34-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347298
PNG
(US10202418, Compound A10)
Show SMILES CC(C)[C@H](NC(=O)COc1ccc(C)c(C)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H45N3O5/c1-24(2)34(38-33(41)23-43-29-16-15-25(3)26(4)21-29)35(42)37-30(22-28-13-9-6-10-14-28)31(39)17-18-32(40)36-20-19-27-11-7-5-8-12-27/h5-16,21,24,30-31,34,39H,17-20,22-23H2,1-4H3,(H,36,40)(H,37,42)(H,38,41)/t30-,31-,34-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347307
PNG
(US10202418, Compound A20)
Show SMILES CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H45N3O4/c1-26(2)34(38-33(41)20-12-19-27-13-6-3-7-14-27)35(42)37-30(25-29-17-10-5-11-18-29)31(39)21-22-32(40)36-24-23-28-15-8-4-9-16-28/h3-11,13-18,26,30-31,34,39H,12,19-25H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t30-,31-,34-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347292
PNG
(US10202418, Compound A4)
Show SMILES COc1ccc(OC(F)(F)F)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C35H42F3N3O6/c1-23(2)33(41-32(44)22-26-21-27(47-35(36,37)38)14-16-30(26)46-3)34(45)40-28(20-25-12-8-5-9-13-25)29(42)15-17-31(43)39-19-18-24-10-6-4-7-11-24/h4-14,16,21,23,28-29,33,42H,15,17-20,22H2,1-3H3,(H,39,43)(H,40,45)(H,41,44)/t28-,29-,33-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347309
PNG
(US10202418, Compound A22)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C37H51F3N4O8/c1-7-23(6)33(35(49)44-32(22(4)5)36(50)51)42-29(46)17-16-28(45)27(19-24-12-9-8-10-13-24)41-34(48)31(21(2)3)43-30(47)20-25-14-11-15-26(18-25)52-37(38,39)40/h8-15,18,21-23,27-28,31-33,45H,7,16-17,19-20H2,1-6H3,(H,41,48)(H,42,46)(H,43,47)(H,44,49)(H,50,51)/t23-,27-,28-,31-,32-,33-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347295
PNG
(US10202418, Compound A7)
Show SMILES COc1ccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)cc1
Show InChI InChI=1S/C34H43N3O5/c1-24(2)33(37-32(40)23-27-14-16-28(42-3)17-15-27)34(41)36-29(22-26-12-8-5-9-13-26)30(38)18-19-31(39)35-21-20-25-10-6-4-7-11-25/h4-17,24,29-30,33,38H,18-23H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t29-,30-,33-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347297
PNG
(US10202418, Compound A9)
Show SMILES COc1ccccc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H43N3O5/c1-24(2)33(37-32(40)23-27-16-10-11-17-30(27)42-3)34(41)36-28(22-26-14-8-5-9-15-26)29(38)18-19-31(39)35-21-20-25-12-6-4-7-13-25/h4-17,24,28-29,33,38H,18-23H2,1-3H3,(H,35,39)(H,36,41)(H,37,40)/t28-,29-,33-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347301
PNG
(US10202418, Compound A14)
Show SMILES CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C39H45N3O5/c1-26(2)37(42-36(45)25-30-17-12-20-32(23-30)47-31-18-9-6-10-19-31)39(46)40-33(24-29-15-7-5-8-16-29)34(43)21-22-35(44)41-38-27(3)13-11-14-28(38)4/h5-20,23,26,33-34,37,43H,21-22,24-25H2,1-4H3,(H,40,46)(H,41,44)(H,42,45)/t33-,34-,37-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM347293
PNG
(US10202418, Compound A5)
Show SMILES COc1ccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)cc1OC
Show InChI InChI=1S/C35H45N3O6/c1-24(2)34(38-33(41)23-27-15-17-30(43-3)31(22-27)44-4)35(42)37-28(21-26-13-9-6-10-14-26)29(39)16-18-32(40)36-20-19-25-11-7-5-8-12-25/h5-15,17,22,24,28-29,34,39H,16,18-21,23H2,1-4H3,(H,36,40)(H,37,42)(H,38,41)/t28-,29-,34-/m0/s1
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MERCK PATENT GMBH

US Patent


Assay Description
In order to identify modulators of renin activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluorescent g...


US Patent US10202418 (2019)

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