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Compile Data Set for Download or QSAR

Found 206 hits Enz. Inhib. hit(s) with Target = 'insulin-degrading enzyme isoform 1 precursor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427698
PNG
(CHEMBL2324206)
Show SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58-46-20-10-19-45-44(46)18-11-21-51(45)77(74,75)76)53(68)62-49(33-38-23-26-43(66)27-24-38)57(72)64(56(71)41-15-6-3-7-16-41)50(35-37-12-4-2-5-13-37)55(70)61-48(54(69)63-73)34-39-22-25-40-14-8-9-17-42(40)32-39/h2-27,32,47-50,58,66,73H,28-31,33-35H2,1H3,(H,59,67)(H,60,65)(H,61,70)(H,62,68)(H,63,69)(H,74,75,76)/t47-,48+,49+,50+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427703
PNG
(CHEMBL2324220)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30(18-25-20-42-27-9-4-3-8-26(25)27)45-35(52)29(10-5-15-41-37(39)40)44-34(51)24(19-31(47)46-54)17-21-11-12-22-6-1-2-7-23(22)16-21/h1-4,6-9,11-12,16,20,24,28-30,42,54H,5,10,13-15,17-19H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H4,39,40,41)/t24-,28+,29+,30+/m1/s1
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3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427703
PNG
(CHEMBL2324220)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30(18-25-20-42-27-9-4-3-8-26(25)27)45-35(52)29(10-5-15-41-37(39)40)44-34(51)24(19-31(47)46-54)17-21-11-12-22-6-1-2-7-23(22)16-21/h1-4,6-9,11-12,16,20,24,28-30,42,54H,5,10,13-15,17-19H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H4,39,40,41)/t24-,28+,29+,30+/m1/s1
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22n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427697
PNG
(CHEMBL2324207)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(O)=O)NC(=O)CC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C66H85N19O13/c1-3-36(2)55-64(97)79-46(20-12-26-73-66(69)70)56(89)78-47(23-24-53(86)76-52(32-54(87)88)61(94)83-51(31-42-34-71-35-75-42)60(93)80-48(62(95)84-55)28-37-13-5-4-6-14-37)58(91)82-50(30-41-33-74-44-18-10-9-17-43(41)44)59(92)77-45(19-11-25-72-65(67)68)57(90)81-49(63(96)85-98)29-38-21-22-39-15-7-8-16-40(39)27-38/h4-10,13-18,21-22,27,33-36,45-52,55,74,98H,3,11-12,19-20,23-26,28-32H2,1-2H3,(H,71,75)(H,76,86)(H,77,92)(H,78,89)(H,79,97)(H,80,93)(H,81,90)(H,82,91)(H,83,94)(H,84,95)(H,85,96)(H,87,88)(H4,67,68,72)(H4,69,70,73)/t36-,45-,46-,47-,48-,49-,50-,51-,52-,55-/m1/s1
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23n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427696
PNG
(CHEMBL2324201)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O9/c38-32(50)27(13-14-30(47)48)43-35(53)29(18-23-19-42-26-9-4-3-8-24(23)26)45-34(52)28(10-5-15-41-37(39)40)44-33(51)25(31(49)36(54)46-55)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,31,42,49,55H,5,10,13-15,17-18H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,47,48)(H4,39,40,41)/t25-,27+,28+,29+,31+/m1/s1
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26n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427703
PNG
(CHEMBL2324220)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30(18-25-20-42-27-9-4-3-8-26(25)27)45-35(52)29(10-5-15-41-37(39)40)44-34(51)24(19-31(47)46-54)17-21-11-12-22-6-1-2-7-23(22)16-21/h1-4,6-9,11-12,16,20,24,28-30,42,54H,5,10,13-15,17-19H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H4,39,40,41)/t24-,28+,29+,30+/m1/s1
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38n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427698
PNG
(CHEMBL2324206)
Show SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58-46-20-10-19-45-44(46)18-11-21-51(45)77(74,75)76)53(68)62-49(33-38-23-26-43(66)27-24-38)57(72)64(56(71)41-15-6-3-7-16-41)50(35-37-12-4-2-5-13-37)55(70)61-48(54(69)63-73)34-39-22-25-40-14-8-9-17-42(40)32-39/h2-27,32,47-50,58,66,73H,28-31,33-35H2,1H3,(H,59,67)(H,60,65)(H,61,70)(H,62,68)(H,63,69)(H,74,75,76)/t47-,48+,49+,50+/m0/s1
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44n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427700
PNG
(CHEMBL2324204)
Show SMILES N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C35H43N9O7/c36-25(13-14-30(45)46)31(47)42-29(18-23-19-40-26-9-4-3-8-24(23)26)33(49)41-27(10-5-15-39-35(37)38)32(48)43-28(34(50)44-51)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,40,51H,5,10,13-15,17-18,36H2,(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,45,46)(H4,37,38,39)/t25-,27-,28-,29-/m1/s1
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50n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427696
PNG
(CHEMBL2324201)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O9/c38-32(50)27(13-14-30(47)48)43-35(53)29(18-23-19-42-26-9-4-3-8-24(23)26)45-34(52)28(10-5-15-41-37(39)40)44-33(51)25(31(49)36(54)46-55)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,31,42,49,55H,5,10,13-15,17-18H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,47,48)(H4,39,40,41)/t25-,27+,28+,29+,31+/m1/s1
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70n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427713
PNG
(CHEMBL2324209)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O8/c38-33(50)28(13-14-32(48)49)43-36(53)30(18-25-20-42-27-9-4-3-8-26(25)27)45-35(52)29(10-5-15-41-37(39)40)44-34(51)24(19-31(47)46-54)17-21-11-12-22-6-1-2-7-23(22)16-21/h1-4,6-9,11-12,16,20,24,28-30,42,54H,5,10,13-15,17-19H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,47)(H,48,49)(H4,39,40,41)/t24-,28-,29-,30-/m0/s1
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73n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427715
PNG
(CHEMBL2324219)
Show SMILES CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C38H46N8O8/c1-22(47)43-31(14-15-34(49)50)36(52)45-32(19-27-21-42-29-10-5-4-9-28(27)29)37(53)44-30(11-6-16-41-38(39)40)35(51)26(20-33(48)46-54)18-23-12-13-24-7-2-3-8-25(24)17-23/h2-5,7-10,12-13,17,21,26,30-32,42,54H,6,11,14-16,18-20H2,1H3,(H,43,47)(H,44,53)(H,45,52)(H,46,48)(H,49,50)(H4,39,40,41)/t26-,30-,31-,32-/m0/s1
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78n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427699
PNG
(CHEMBL2324205)
Show SMILES N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C33H42N8O8/c34-24(13-14-28(43)44)29(45)39-26(17-19-8-11-23(42)12-9-19)31(47)38-25(6-3-15-37-33(35)36)30(46)40-27(32(48)41-49)18-20-7-10-21-4-1-2-5-22(21)16-20/h1-2,4-5,7-12,16,24-27,42,49H,3,6,13-15,17-18,34H2,(H,38,47)(H,39,45)(H,40,46)(H,41,48)(H,43,44)(H4,35,36,37)/t24-,25-,26-,27-/m1/s1
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85n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427701
PNG
(CHEMBL2324203)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)OCC=C
Show InChI InChI=1S/C24H31N5O5/c1-2-12-34-23(32)20(8-5-11-27-24(25)26)28-22(31)19(15-21(30)29-33)14-16-9-10-17-6-3-4-7-18(17)13-16/h2-4,6-7,9-10,13,19-20,33H,1,5,8,11-12,14-15H2,(H,28,31)(H,29,30)(H4,25,26,27)/t19-,20+/m1/s1
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87n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427702
PNG
(CHEMBL2324202)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O9/c38-32(50)27(13-14-30(47)48)43-35(53)29(18-23-19-42-26-9-4-3-8-24(23)26)45-34(52)28(10-5-15-41-37(39)40)44-33(51)25(31(49)36(54)46-55)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,31,42,49,55H,5,10,13-15,17-18H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,47,48)(H4,39,40,41)/t25-,27+,28+,29+,31-/m1/s1
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103n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427701
PNG
(CHEMBL2324203)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)OCC=C
Show InChI InChI=1S/C24H31N5O5/c1-2-12-34-23(32)20(8-5-11-27-24(25)26)28-22(31)19(15-21(30)29-33)14-16-9-10-17-6-3-4-7-18(17)13-16/h2-4,6-7,9-10,13,19-20,33H,1,5,8,11-12,14-15H2,(H,28,31)(H,29,30)(H4,25,26,27)/t19-,20+/m1/s1
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107n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427697
PNG
(CHEMBL2324207)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(O)=O)NC(=O)CC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C66H85N19O13/c1-3-36(2)55-64(97)79-46(20-12-26-73-66(69)70)56(89)78-47(23-24-53(86)76-52(32-54(87)88)61(94)83-51(31-42-34-71-35-75-42)60(93)80-48(62(95)84-55)28-37-13-5-4-6-14-37)58(91)82-50(30-41-33-74-44-18-10-9-17-43(41)44)59(92)77-45(19-11-25-72-65(67)68)57(90)81-49(63(96)85-98)29-38-21-22-39-15-7-8-16-40(39)27-38/h4-10,13-18,21-22,27,33-36,45-52,55,74,98H,3,11-12,19-20,23-26,28-32H2,1-2H3,(H,71,75)(H,76,86)(H,77,92)(H,78,89)(H,79,97)(H,80,93)(H,81,90)(H,82,91)(H,83,94)(H,84,95)(H,85,96)(H,87,88)(H4,67,68,72)(H4,69,70,73)/t36-,45-,46-,47-,48-,49-,50-,51-,52-,55-/m1/s1
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171n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427700
PNG
(CHEMBL2324204)
Show SMILES N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C35H43N9O7/c36-25(13-14-30(45)46)31(47)42-29(18-23-19-40-26-9-4-3-8-24(23)26)33(49)41-27(10-5-15-39-35(37)38)32(48)43-28(34(50)44-51)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,40,51H,5,10,13-15,17-18,36H2,(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,45,46)(H4,37,38,39)/t25-,27-,28-,29-/m1/s1
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228n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427697
PNG
(CHEMBL2324207)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(O)=O)NC(=O)CC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C66H85N19O13/c1-3-36(2)55-64(97)79-46(20-12-26-73-66(69)70)56(89)78-47(23-24-53(86)76-52(32-54(87)88)61(94)83-51(31-42-34-71-35-75-42)60(93)80-48(62(95)84-55)28-37-13-5-4-6-14-37)58(91)82-50(30-41-33-74-44-18-10-9-17-43(41)44)59(92)77-45(19-11-25-72-65(67)68)57(90)81-49(63(96)85-98)29-38-21-22-39-15-7-8-16-40(39)27-38/h4-10,13-18,21-22,27,33-36,45-52,55,74,98H,3,11-12,19-20,23-26,28-32H2,1-2H3,(H,71,75)(H,76,86)(H,77,92)(H,78,89)(H,79,97)(H,80,93)(H,81,90)(H,82,91)(H,83,94)(H,84,95)(H,85,96)(H,87,88)(H4,67,68,72)(H4,69,70,73)/t36-,45-,46-,47-,48-,49-,50-,51-,52-,55-/m1/s1
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246n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427696
PNG
(CHEMBL2324201)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O9/c38-32(50)27(13-14-30(47)48)43-35(53)29(18-23-19-42-26-9-4-3-8-24(23)26)45-34(52)28(10-5-15-41-37(39)40)44-33(51)25(31(49)36(54)46-55)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,31,42,49,55H,5,10,13-15,17-18H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,47,48)(H4,39,40,41)/t25-,27+,28+,29+,31+/m1/s1
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275n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427699
PNG
(CHEMBL2324205)
Show SMILES N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C33H42N8O8/c34-24(13-14-28(43)44)29(45)39-26(17-19-8-11-23(42)12-9-19)31(47)38-25(6-3-15-37-33(35)36)30(46)40-27(32(48)41-49)18-20-7-10-21-4-1-2-5-22(21)16-20/h1-2,4-5,7-12,16,24-27,42,49H,3,6,13-15,17-18,34H2,(H,38,47)(H,39,45)(H,40,46)(H,41,48)(H,43,44)(H4,35,36,37)/t24-,25-,26-,27-/m1/s1
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365n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427698
PNG
(CHEMBL2324206)
Show SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58-46-20-10-19-45-44(46)18-11-21-51(45)77(74,75)76)53(68)62-49(33-38-23-26-43(66)27-24-38)57(72)64(56(71)41-15-6-3-7-16-41)50(35-37-12-4-2-5-13-37)55(70)61-48(54(69)63-73)34-39-22-25-40-14-8-9-17-42(40)32-39/h2-27,32,47-50,58,66,73H,28-31,33-35H2,1H3,(H,59,67)(H,60,65)(H,61,70)(H,62,68)(H,63,69)(H,74,75,76)/t47-,48+,49+,50+/m0/s1
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410n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427709
PNG
(CHEMBL2324213)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H38N8O6/c33-28(42)26(16-21-17-37-24-9-4-3-8-22(21)24)39-30(44)25(10-5-13-36-32(34)35)38-29(43)23(27(41)31(45)40-46)15-18-11-12-19-6-1-2-7-20(19)14-18/h1-4,6-9,11-12,14,17,23,25-27,37,41,46H,5,10,13,15-16H2,(H2,33,42)(H,38,43)(H,39,44)(H,40,45)(H4,34,35,36)/t23-,25+,26+,27-/m1/s1
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498n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427699
PNG
(CHEMBL2324205)
Show SMILES N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C33H42N8O8/c34-24(13-14-28(43)44)29(45)39-26(17-19-8-11-23(42)12-9-19)31(47)38-25(6-3-15-37-33(35)36)30(46)40-27(32(48)41-49)18-20-7-10-21-4-1-2-5-22(21)16-20/h1-2,4-5,7-12,16,24-27,42,49H,3,6,13-15,17-18,34H2,(H,38,47)(H,39,45)(H,40,46)(H,41,48)(H,43,44)(H4,35,36,37)/t24-,25-,26-,27-/m1/s1
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833n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427702
PNG
(CHEMBL2324202)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O9/c38-32(50)27(13-14-30(47)48)43-35(53)29(18-23-19-42-26-9-4-3-8-24(23)26)45-34(52)28(10-5-15-41-37(39)40)44-33(51)25(31(49)36(54)46-55)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,31,42,49,55H,5,10,13-15,17-18H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,47,48)(H4,39,40,41)/t25-,27+,28+,29+,31-/m1/s1
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927n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427714
PNG
(CHEMBL2324208)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C21H28N6O4/c22-19(29)17(6-3-9-25-21(23)24)26-20(30)16(12-18(28)27-31)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16-17,31H,3,6,9,11-12H2,(H2,22,29)(H,26,30)(H,27,28)(H4,23,24,25)/t16-,17+/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427701
PNG
(CHEMBL2324203)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)OCC=C
Show InChI InChI=1S/C24H31N5O5/c1-2-12-34-23(32)20(8-5-11-27-24(25)26)28-22(31)19(15-21(30)29-33)14-16-9-10-17-6-3-4-7-18(17)13-16/h2-4,6-7,9-10,13,19-20,33H,1,5,8,11-12,14-15H2,(H,28,31)(H,29,30)(H4,25,26,27)/t19-,20+/m1/s1
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1.28E+3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427702
PNG
(CHEMBL2324202)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C37H45N9O9/c38-32(50)27(13-14-30(47)48)43-35(53)29(18-23-19-42-26-9-4-3-8-24(23)26)45-34(52)28(10-5-15-41-37(39)40)44-33(51)25(31(49)36(54)46-55)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,31,42,49,55H,5,10,13-15,17-18H2,(H2,38,50)(H,43,53)(H,44,51)(H,45,52)(H,46,54)(H,47,48)(H4,39,40,41)/t25-,27+,28+,29+,31-/m1/s1
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1.89E+3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427700
PNG
(CHEMBL2324204)
Show SMILES N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C35H43N9O7/c36-25(13-14-30(45)46)31(47)42-29(18-23-19-40-26-9-4-3-8-24(23)26)33(49)41-27(10-5-15-39-35(37)38)32(48)43-28(34(50)44-51)17-20-11-12-21-6-1-2-7-22(21)16-20/h1-4,6-9,11-12,16,19,25,27-29,40,51H,5,10,13-15,17-18,36H2,(H,41,49)(H,42,47)(H,43,48)(H,44,50)(H,45,46)(H4,37,38,39)/t25-,27-,28-,29-/m1/s1
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3.26E+3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427704
PNG
(CHEMBL2324218)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)OCC=C
Show InChI InChI=1S/C24H31N5O5/c1-2-12-34-23(32)20(8-5-11-27-24(25)26)28-22(31)19(15-21(30)29-33)14-16-9-10-17-6-3-4-7-18(17)13-16/h2-4,6-7,9-10,13,19-20,33H,1,5,8,11-12,14-15H2,(H,28,31)(H,29,30)(H4,25,26,27)/t19-,20-/m0/s1
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5.28E+3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427708
PNG
(CHEMBL2324214)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(N)=O
Show InChI InChI=1S/C21H28N6O5/c22-18(29)16(6-3-9-25-21(23)24)26-19(30)15(17(28)20(31)27-32)11-12-7-8-13-4-1-2-5-14(13)10-12/h1-2,4-5,7-8,10,15-17,28,32H,3,6,9,11H2,(H2,22,29)(H,26,30)(H,27,31)(H4,23,24,25)/t15-,16+,17-/m1/s1
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7.02E+3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427710
PNG
(CHEMBL2324212)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(N)=O
Show InChI InChI=1S/C21H28N6O5/c22-18(29)16(6-3-9-25-21(23)24)26-19(30)15(17(28)20(31)27-32)11-12-7-8-13-4-1-2-5-14(13)10-12/h1-2,4-5,7-8,10,15-17,28,32H,3,6,9,11H2,(H2,22,29)(H,26,30)(H,27,31)(H4,23,24,25)/t15-,16+,17+/m1/s1
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7.75E+3n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427711
PNG
(CHEMBL2324211)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H38N8O6/c33-28(42)26(16-21-17-37-24-9-4-3-8-22(21)24)39-30(44)25(10-5-13-36-32(34)35)38-29(43)23(27(41)31(45)40-46)15-18-11-12-19-6-1-2-7-20(19)14-18/h1-4,6-9,11-12,14,17,23,25-27,37,41,46H,5,10,13,15-16H2,(H2,33,42)(H,38,43)(H,39,44)(H,40,45)(H4,34,35,36)/t23-,25+,26+,27+/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427706
PNG
(CHEMBL2324216)
Show SMILES NC(N)=NCCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C22H30N6O4/c23-20(30)18(7-3-4-10-26-22(24)25)27-21(31)17(13-19(29)28-32)12-14-8-9-15-5-1-2-6-16(15)11-14/h1-2,5-6,8-9,11,17-18,32H,3-4,7,10,12-13H2,(H2,23,30)(H,27,31)(H,28,29)(H4,24,25,26)/t17-,18-/m0/s1
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>3.30E+4n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427707
PNG
(CHEMBL2324215)
Show SMILES NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C22H30N6O4/c23-20(30)18(7-3-4-10-26-22(24)25)27-21(31)17(13-19(29)28-32)12-14-8-9-15-5-1-2-6-16(15)11-14/h1-2,5-6,8-9,11,17-18,32H,3-4,7,10,12-13H2,(H2,23,30)(H,27,31)(H,28,29)(H4,24,25,26)/t17-,18+/m1/s1
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Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427712
PNG
(CHEMBL2324210)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C21H28N6O4/c22-19(29)17(6-3-9-25-21(23)24)26-20(30)16(12-18(28)27-31)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16-17,31H,3,6,9,11-12H2,(H2,22,29)(H,26,30)(H,27,28)(H4,23,24,25)/t16-,17-/m0/s1
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Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50427705
PNG
(CHEMBL2324217)
Show SMILES NC(N)=NCCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(N)=O
Show InChI InChI=1S/C22H30N6O5/c23-19(30)17(7-3-4-10-26-22(24)25)27-20(31)16(18(29)21(32)28-33)12-13-8-9-14-5-1-2-6-15(14)11-13/h1-2,5-6,8-9,11,16-18,29,33H,3-4,7,10,12H2,(H2,23,30)(H,27,31)(H,28,32)(H4,24,25,26)/t16-,17+,18+/m1/s1
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Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


Citation and Details
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209049
PNG
(US9243038, 26)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(O)=O
Show InChI InChI=1/C44H60N8O9/c45-37(53)21-20-33-42(58)51-36(27-29-11-3-1-4-12-29)43(59)50-35(28-30-16-18-32(19-17-30)40(56)31-13-5-2-6-14-31)41(57)47-25-10-9-24-46-34(44(60)61)15-7-8-26-48-52-39(55)23-22-38(54)49-33/h2,5-6,13-14,16-19,22-23,29,33-36,46,48H,1,3-4,7-12,15,20-21,24-28H2,(H2,45,53)(H,47,57)(H,49,54)(H,50,59)(H,51,58)(H,52,55)(H,60,61)/b23-22-/t33-,34?,35+,36-/s2
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n/an/a 54n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209041
PNG
(US9243038, 15)
Show SMILES NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C(CO)NC(=O)\C=C\C(=O)N1
Show InChI InChI=1/C38H48N6O8/c39-35(49)28-13-7-8-20-40-36(50)29(22-25-14-16-27(17-15-25)34(48)26-11-5-2-6-12-26)43-37(51)30(21-24-9-3-1-4-10-24)44-38(52)31(23-45)42-33(47)19-18-32(46)41-28/h2,5-6,11-12,14-19,24,28-31,45H,1,3-4,7-10,13,20-23H2,(H2,39,49)(H,40,50)(H,41,46)(H,42,47)(H,43,51)(H,44,52)/b19-18+/t28?,29-,30+,31?/s2
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n/an/a 60n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209051
PNG
(US9243038, 27)
Show SMILES CCNC(=O)C1CCCNNC(=O)\C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](Cc2ccc(cc2)C(=O)c2ccccc2)C(=O)NCCCCN1
Show InChI InChI=1/C45H63N9O8/c1-2-47-42(59)34-16-11-27-50-54-40(57)24-23-39(56)51-35(21-22-38(46)55)44(61)53-37(28-30-12-5-3-6-13-30)45(62)52-36(43(60)49-26-10-9-25-48-34)29-31-17-19-33(20-18-31)41(58)32-14-7-4-8-15-32/h4,7-8,14-15,17-20,23-24,30,34-37,48,50H,2-3,5-6,9-13,16,21-22,25-29H2,1H3,(H2,46,55)(H,47,59)(H,49,60)(H,51,56)(H,52,62)(H,53,61)(H,54,57)/b24-23-/t34?,35-,36+,37-/s2
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n/an/a 60n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209032
PNG
(US9243038, 6a (cis olefin) | US9243038, 6b (trans ...)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1/C40H51N7O8/c41-33(48)19-18-30-39(54)47-32(23-25-9-3-1-4-10-25)40(55)46-31(24-26-14-16-28(17-15-26)36(51)27-11-5-2-6-12-27)38(53)43-22-8-7-13-29(37(42)52)44-34(49)20-21-35(50)45-30/h2,5-6,11-12,14-17,20-21,25,29-32H,1,3-4,7-10,13,18-19,22-24H2,(H2,41,48)(H2,42,52)(H,43,53)(H,44,49)(H,45,50)(H,46,55)(H,47,54)/b21-20+/t29-,30-,31+,32-/s2
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n/an/a 60n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209053
PNG
(US9243038, 8)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1/C40H51N7O8/c41-33(48)19-18-30-39(54)47-32(23-25-9-3-1-4-10-25)40(55)46-31(24-26-14-16-28(17-15-26)36(51)27-11-5-2-6-12-27)38(53)43-22-8-7-13-29(37(42)52)44-34(49)20-21-35(50)45-30/h2,5-6,11-12,14-17,20-21,25,29-32H,1,3-4,7-10,13,18-19,22-24H2,(H2,41,48)(H2,42,52)(H,43,53)(H,44,49)(H,45,50)(H,46,55)(H,47,54)/b21-20+/t29-,30-,31?,32-/s2
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n/an/a 60n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209054
PNG
(US9243038, 13)
Show SMILES C[C@@H]1NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1/C38H48N6O7/c1-24-36(49)43-31(22-25-10-4-2-5-11-25)38(51)44-30(23-26-15-17-28(18-16-26)34(47)27-12-6-3-7-13-27)37(50)40-21-9-8-14-29(35(39)48)42-33(46)20-19-32(45)41-24/h3,6-7,12-13,15-20,24-25,29-31H,2,4-5,8-11,14,21-23H2,1H3,(H2,39,48)(H,40,50)(H,41,45)(H,42,46)(H,43,49)(H,44,51)/b20-19+/t24-,29?,30+,31-/s2
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n/an/a 60n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209045
PNG
(US9243038, 20)
Show SMILES NCCCC[C@@H]1NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1/C41H55N7O7/c42-23-9-7-16-32-40(54)48-34(25-27-11-3-1-4-12-27)41(55)47-33(26-28-17-19-30(20-18-28)37(51)29-13-5-2-6-14-29)39(53)44-24-10-8-15-31(38(43)52)45-35(49)21-22-36(50)46-32/h2,5-6,13-14,17-22,27,31-34H,1,3-4,7-12,15-16,23-26,42H2,(H2,43,52)(H,44,53)(H,45,49)(H,46,50)(H,47,55)(H,48,54)/b22-21+/t31?,32-,33+,34-/s2
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n/an/a 65n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209048
PNG
(US9243038, 28)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(=O)COCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Show InChI InChI=1/C62H91N11O13S/c63-53(75)26-25-47-60(81)70-49(38-42-14-3-1-4-15-42)61(82)69-48(39-43-21-23-45(24-22-43)58(79)44-16-5-2-6-17-44)59(80)66-30-12-11-29-64-46(18-9-10-32-67-73-56(78)28-27-55(77)68-47)51(74)40-86-37-36-85-35-34-84-33-13-31-65-54(76)20-8-7-19-52-57-50(41-87-52)71-62(83)72-57/h2,5-6,16-17,21-24,27-28,42,46-50,52,57,64,67H,1,3-4,7-15,18-20,25-26,29-41H2,(H2,63,75)(H,65,76)(H,66,80)(H,68,77)(H,69,82)(H,70,81)(H,73,78)(H2,71,72,83)/b28-27-/t46?,47-,48+,49-,50-,52-,57-/s2
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n/an/a 80n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209046
PNG
(US9243038, 21)
Show SMILES NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C(CCC(O)=O)NC(=O)\C=C\C(=O)N1
Show InChI InChI=1/C40H50N6O9/c41-37(52)29-13-7-8-22-42-38(53)31(24-26-14-16-28(17-15-26)36(51)27-11-5-2-6-12-27)45-40(55)32(23-25-9-3-1-4-10-25)46-39(54)30(18-21-35(49)50)44-34(48)20-19-33(47)43-29/h2,5-6,11-12,14-17,19-20,25,29-32H,1,3-4,7-10,13,18,21-24H2,(H2,41,52)(H,42,53)(H,43,47)(H,44,48)(H,45,55)(H,46,54)(H,49,50)/b20-19+/t29?,30?,31-,32+/s2
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n/an/a 85n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM50005641
PNG
(CHEMBL3235416)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated amyloid beta (16 to 23) hydrolysis using ATTO 655-Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate p...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209052
PNG
(US9243038, 29)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(=O)COCCOCCOOc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1
Show InChI InChI=1/C69H80N8O16/c70-61(80)29-28-55-66(85)76-57(39-44-13-3-1-4-14-44)67(86)75-56(40-45-20-22-47(23-21-45)64(83)46-15-5-2-6-16-46)65(84)72-33-12-11-32-71-54(19-9-10-34-73-77-63(82)31-30-62(81)74-55)58(79)43-89-36-35-88-37-38-90-93-49-25-27-53-60(42-49)91-59-41-48(78)24-26-52(59)69(53)51-18-8-7-17-50(51)68(87)92-69/h2,5-8,15-18,20-27,30-31,41-42,44,54-57,71,73,78H,1,3-4,9-14,19,28-29,32-40,43H2,(H2,70,80)(H,72,84)(H,74,81)(H,75,86)(H,76,85)(H,77,82)/b31-30-/t54?,55-,56+,57-,69?/s2
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n/an/a 100n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209024
PNG
(US9243038, 2a (cis olefin) | US9243038, 2b (trans ...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1/C41H55N9O7/c42-37(54)30-14-7-8-22-45-38(55)32(25-27-16-18-29(19-17-27)36(53)28-12-5-2-6-13-28)49-40(57)33(24-26-10-3-1-4-11-26)50-39(56)31(15-9-23-46-41(43)44)48-35(52)21-20-34(51)47-30/h2,5-6,12-13,16-21,26,30-33H,1,3-4,7-11,14-15,22-25H2,(H2,42,54)(H,45,55)(H,47,51)(H,48,52)(H,49,57)(H,50,56)(H4,43,44,46)/b21-20+/t30-,31-,32+,33-/s2
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n/an/a 150n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209042
PNG
(US9243038, 16)
Show SMILES CC1(C)NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1/C39H50N6O7/c1-39(2)38(52)44-31(23-25-11-5-3-6-12-25)37(51)43-30(24-26-16-18-28(19-17-26)34(48)27-13-7-4-8-14-27)36(50)41-22-10-9-15-29(35(40)49)42-32(46)20-21-33(47)45-39/h4,7-8,13-14,16-21,25,29-31H,3,5-6,9-12,15,22-24H2,1-2H3,(H2,40,49)(H,41,50)(H,42,46)(H,43,51)(H,44,52)(H,45,47)/b21-20+/t29?,30-,31+/s2
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n/an/a 370n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209043
PNG
(US9243038, 17)
Show SMILES NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CNC(=O)\C=C\C(=O)N1
Show InChI InChI=1/C37H46N6O7/c38-35(48)28-13-7-8-20-39-36(49)29(22-25-14-16-27(17-15-25)34(47)26-11-5-2-6-12-26)43-37(50)30(21-24-9-3-1-4-10-24)42-33(46)23-40-31(44)18-19-32(45)41-28/h2,5-6,11-12,14-19,24,28-30H,1,3-4,7-10,13,20-23H2,(H2,38,48)(H,39,49)(H,40,44)(H,41,45)(H,42,46)(H,43,50)/b19-18+/t28?,29-,30+/s2
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n/an/a 500n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)

More data for this
Ligand-Target Pair
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