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Compile Data Set for Download or QSAR

Found 200 hits of ic50 data for polymerid = 4821   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50525490
PNG
(CHEMBL4437643)
Show SMILES COC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c1ccc(OCCCCCc2ccc(NC(=O)[C@H](C3CCCCC3)N3CCC[C@H](N)C3=O)cc2)cc1 |r|
Show InChI InChI=1S/C44H55N5O5/c1-53-44(52)47-30-36(28-32-27-35-14-7-8-16-40(35)46-29-32)33-19-23-38(24-20-33)54-26-9-3-4-11-31-17-21-37(22-18-31)48-42(50)41(34-12-5-2-6-13-34)49-25-10-15-39(45)43(49)51/h7-8,14,16-24,27,29,34,36,39,41H,2-6,9-13,15,25-26,28,30,45H2,1H3,(H,47,52)(H,48,50)/t36-,39+,41+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant IDE exosite (unknown origin) expressed in Escherichia coli using insulin as substrate incubated for 4 hrs by AlphaLisa assa...

Eur J Med Chem 179: 557-566 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.057
BindingDB Entry DOI: 10.7270/Q2XS5ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 14n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using insulin as substrate preincubated for 10 mins followed by su...

Eur J Med Chem 179: 557-566 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.057
BindingDB Entry DOI: 10.7270/Q2XS5ZT5
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 42n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substra...

Eur J Med Chem 179: 557-566 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.057
BindingDB Entry DOI: 10.7270/Q2XS5ZT5
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50525489
PNG
(CHEMBL4556893)
Show SMILES NCCCC[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 |r,t:9|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of IDE (unknown origin) assessed as cleavage of Mca-RPPGFSAFK(Dnp)-OH by fluorescence assay

J Med Chem 59: 6629-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01874
BindingDB Entry DOI: 10.7270/Q2N58QV5
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50525489
PNG
(CHEMBL4556893)
Show SMILES NCCCC[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 |r,t:9|
Show InChI InChI=1S/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-/m0/s1
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of IDE (unknown origin) assessed as cleavage of Mca-RPPGFSAFK(Dnp)-OH by fluorescence assay

J Med Chem 59: 6629-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01874
BindingDB Entry DOI: 10.7270/Q2N58QV5
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,c:9|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50462574
PNG
(CHEMBL4241044)
Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human IDE using insulin as substrate preincubated for 10 mis followed by substrate addition and measured after 30 mins

J Med Chem 61: 9395-9409 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00266
BindingDB Entry DOI: 10.7270/Q2765J0C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50514415
PNG
(CHEMBL4527561)
Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)N1NNC(CNC(=O)c2ccc(F)cc2)=C1 |r,c:34|
Show InChI InChI=1S/C24H24FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,27,29,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE pre-incubated for 10 mins before Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp substrate addition and measured after 30...

J Med Chem 63: 3817-3833 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01183
BindingDB Entry DOI: 10.7270/Q2NZ8C0R
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50462574
PNG
(CHEMBL4241044)
Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using insulin as substrate preincubated for 10 mins followed by su...

Eur J Med Chem 179: 557-566 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.057
BindingDB Entry DOI: 10.7270/Q2XS5ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:50|
Show InChI InChI=1S/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?/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:5|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:9|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:9|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,c:13|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM314096
PNG
(US9610322, 6b (trans olefin))
Show SMILES NC(=C)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:9|
Show InChI InChI=1S/C43H55N5O7/c1-28(44)17-22-34-38(50)27-33(25-29-11-5-2-6-12-29)43(55)48-36(26-30-18-20-32(21-19-30)41(53)31-13-7-3-8-14-31)37(49)16-10-4-9-15-35(42(45)54)47-40(52)24-23-39(51)46-34/h3,7-8,13-14,18-21,23-24,29,33-36H,1-2,4-6,9-12,15-17,22,25-27,44H2,(H2,45,54)(H,46,51)(H,47,52)(H,48,55)/b24-23+/t33-,34+,35+,36?/m1/s1
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n/an/a 60n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...

US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50462574
PNG
(CHEMBL4241044)
Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of wild type human IDE catalytic site using insulin as substrate preincubated for 10 mins followed by substrate addition and measured afte...

Eur J Med Chem 179: 557-566 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.057
BindingDB Entry DOI: 10.7270/Q2XS5ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:9|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,c:9|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:53|
Show InChI InChI=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50005641
PNG
(CHEMBL3235416)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(O)=O |r|
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...

Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,c:9|
Show InChI InChI=1S/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?/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50005641
PNG
(CHEMBL3235416)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(O)=O |r|
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



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of IDE exosite and catalytic site (unknown origin)

Eur J Med Chem 179: 557-566 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.057
BindingDB Entry DOI: 10.7270/Q2XS5ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:11|
Show InChI InChI=1S/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-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50462574
PNG
(CHEMBL4241044)
Show SMILES ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1 |r|
Show InChI InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE harboring C110L/C171S/C178A/C257V/C414L/C573N/C590S/C789S/C812A/C819A/C904S/C966N/C974A mutant expressed in Esche...

Eur J Med Chem 179: 557-566 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.057
BindingDB Entry DOI: 10.7270/Q2XS5ZT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:6|
Show InChI InChI=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		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 |r,t:48|
Show InChI InChI=1S/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+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM209034
PNG
(US9243038, 6c )
Show SMILES NC(=O)CC[C@@H]1NC(=O)OC2CCC(N2)OC(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C42H56N8O10/c43-33(51)19-18-30-39(55)47-32(23-25-9-3-1-4-10-25)40(56)46-31(24-26-14-16-28(17-15-26)36(52)27-11-5-2-6-12-27)38(54)45-22-8-7-13-29(37(44)53)48-41(57)59-34-20-21-35(50-34)60-42(58)49-30/h2,5-6,11-12,14-17,25,29-32,34-35,50H,1,3-4,7-10,13,18-24H2,(H2,43,51)(H2,44,53)(H,45,54)(H,46,56)(H,47,55)(H,48,57)(H,49,58)/t29-,30-,31+,32-,34?,35?/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50738
PNG
(MLS000762832 | N-[(2,3-dimethoxyphenyl)methylidene...)
Show SMILES COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC |w:9.9|
Show InChI InChI=1S/C20H19N5O2/c1-12-7-8-15-14(9-12)17-18(24-15)20(22-11-21-17)25-23-10-13-5-4-6-16(26-2)19(13)27-3/h4-9,11,24H,10H2,1-3H3
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n/an/a 571n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50005638
PNG
(CHEMBL3235414)
Show SMILES COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(O)=O |r|
Show InChI InChI=1S/C20H26N4O5/c1-29-20(28)17(10-16-11-21-14-22-16)23-18(25)12-24(13-19(26)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)/t17-/m0/s1
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n/an/a 600n/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...

Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50005640
PNG
(CHEMBL3235415)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H23N5O4/c1-19-18(27)15(7-14-8-20-12-21-14)22-16(24)10-23(11-17(25)26)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,27)(H,20,21)(H,22,24)(H,25,26)/t15-/m0/s1
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n/an/a 600n/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...

Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM314094
PNG
(US9610322, 5b (trans olefin))
Show SMILES NC(=O)[C@@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:53|
Show InChI InChI=1S/C43H54N4O7/c44-42(53)34-14-8-3-9-15-37(48)35(25-30-18-20-32(21-19-30)41(52)31-12-6-2-7-13-31)47-43(54)33(24-28-10-4-1-5-11-28)27-38(49)36(26-29-16-17-29)46-40(51)23-22-39(50)45-34/h2,6-7,12-13,18-23,28-29,33-36H,1,3-5,8-11,14-17,24-27H2,(H2,44,53)(H,45,50)(H,46,51)(H,47,54)/b23-22+/t33-,34+,35?,36+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...

US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM209025
PNG
(US9243038, 5a (cis olefin) | US9243038, 5b (trans ...)
Show SMILES NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:53|
Show InChI InChI=1S/C41H52N6O7/c42-38(51)31-13-7-8-22-43-39(52)32(24-28-16-18-30(19-17-28)37(50)29-11-5-2-6-12-29)46-41(54)34(23-26-9-3-1-4-10-26)47-40(53)33(25-27-14-15-27)45-36(49)21-20-35(48)44-31/h2,5-6,11-12,16-21,26-27,31-34H,1,3-4,7-10,13-15,22-25H2,(H2,42,51)(H,43,52)(H,44,48)(H,45,49)(H,46,54)(H,47,53)/b21-20+/t31-,32+,33-,34-/m0/s1
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n/an/a>1.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50005637
PNG
(CHEMBL3235413)
Show SMILES COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCc1ccccc1)CC(O)=O |r|
Show InChI InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1
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n/an/a 1.40E+3n/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...

Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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n/an/a 1.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM314089
PNG
(US9610322, 3b (trans olefin))
Show SMILES NC(=O)[C@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:56|
Show InChI InChI=1S/C46H60N4O7/c47-45(56)37-19-11-4-12-20-40(51)38(29-33-21-23-35(24-22-33)44(55)34-17-9-3-10-18-34)50-46(57)36(27-31-13-5-1-6-14-31)30-41(52)39(28-32-15-7-2-8-16-32)49-43(54)26-25-42(53)48-37/h3,9-10,17-18,21-26,31-32,36-39H,1-2,4-8,11-16,19-20,27-30H2,(H2,47,56)(H,48,53)(H,49,54)(H,50,57)/b26-25+/t36-,37-,38?,39+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
In vitro protease assays: Protease assays with IDE and neprilysin were performed using Mca-RPPGFSAFK(Dnp)-OH substrate peptide (R&D Systems, SEQ ID N...

US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM209027
PNG
(US9243038, 3b (trans olefin))
Show SMILES NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C[C@@H](O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,w:57.60,t:59|
Show InChI InChI=1S/C46H62N6O8/c47-44(58)35-18-10-11-25-48-45(59)37(28-32-19-21-34(22-20-32)43(57)33-16-8-3-9-17-33)52-46(60)38(27-31-14-6-2-7-15-31)51-42(56)29-39(53)36(26-30-12-4-1-5-13-30)50-41(55)24-23-40(54)49-35/h3,8-9,16-17,19-24,30-31,35-39,53H,1-2,4-7,10-15,18,25-29H2,(H2,47,58)(H,48,59)(H,49,54)(H,50,55)(H,51,56)(H,52,60)/b24-23+/t35-,36-,37+,38-,39+/m0/s1
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n/an/a 1.50E+3n/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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM209037
PNG
(US9243038, 10)
Show SMILES CCCCC1NC(=O)[C@H](CCC(N)=O)NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC1=O)C(N)=O |r,t:17|
Show InChI InChI=1S/C37H47N7O8/c1-2-3-11-27-36(51)44-29(22-23-13-15-25(16-14-23)33(48)24-9-5-4-6-10-24)35(50)40-21-8-7-12-26(34(39)49)41-31(46)19-20-32(47)42-28(37(52)43-27)17-18-30(38)45/h4-6,9-10,13-16,19-20,26-29H,2-3,7-8,11-12,17-18,21-22H2,1H3,(H2,38,45)(H2,39,49)(H,40,50)(H,41,46)(H,42,47)(H,43,52)(H,44,51)/b20-19+/t26-,27?,28-,29+/m0/s1
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n/an/a 1.50E+3n/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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM61086
PNG
(3-[(E)-3-[4-(dimethylamino)phenyl]-1-oxoprop-2-eny...)
Show SMILES CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1 |w:7.6|
Show InChI InChI=1S/C20H17NO4/c1-21(2)14-10-7-13(8-11-14)9-12-16(22)18-19(23)15-5-3-4-6-17(15)25-20(18)24/h3-12,23H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM75786
PNG
(2-(3-furanylmethylidene)-7-methyl-3-oxo-5-phenyl-5...)
Show SMILES COC(=O)C1=C(C)N=c2sc(=Cc3ccoc3)c(=O)n2C1c1ccccc1 |c:4,t:7|
Show InChI InChI=1S/C20H16N2O4S/c1-12-16(19(24)25-2)17(14-6-4-3-5-7-14)22-18(23)15(27-20(22)21-12)10-13-8-9-26-11-13/h3-11,17H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM209038
PNG
(US9243038, 11)
Show SMILES CC(C)CC1NC(=O)[C@H](CCC(N)=O)NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC1=O)C(N)=O |r,t:17|
Show InChI InChI=1S/C37H47N7O8/c1-22(2)20-28-37(52)44-29(21-23-11-13-25(14-12-23)33(48)24-8-4-3-5-9-24)35(50)40-19-7-6-10-26(34(39)49)41-31(46)17-18-32(47)42-27(36(51)43-28)15-16-30(38)45/h3-5,8-9,11-14,17-18,22,26-29H,6-7,10,15-16,19-21H2,1-2H3,(H2,38,45)(H2,39,49)(H,40,50)(H,41,46)(H,42,47)(H,43,51)(H,44,52)/b18-17+/t26-,27-,28?,29+/m0/s1
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n/an/a 2.10E+3n/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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM46036
PNG
(2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfony...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H14N2O5S2/c23-19-16-9-2-4-11-18(16)28-22(19)13-6-5-7-14(12-13)29(26,27)21-17-10-3-1-8-15(17)20(24)25/h1-12,21H,(H,24,25)
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n/an/a 2.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM46058
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid | 3-(...)
Show SMILES OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H9NO3S/c16-13-11-6-1-2-7-12(11)19-15(13)10-5-3-4-9(8-10)14(17)18/h1-8H,(H,17,18)
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n/an/a 2.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM75784
PNG
(2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-...)
Show SMILES Clc1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1Cc1ccco1
Show InChI InChI=1S/C21H16ClN5OS/c22-15-6-3-5-14(11-15)20-25-26-21(27(20)12-16-7-4-10-28-16)29-13-19-23-17-8-1-2-9-18(17)24-19/h1-11H,12-13H2,(H,23,24)
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n/an/a 2.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM75800
PNG
((E)-3-[5-(4-chlorophenyl)-2-furanyl]-2-cyano-N-(1,...)
Show SMILES Cc1c(NC(=O)C(=C\c2ccc(o2)-c2ccc(Cl)cc2)\C#N)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C25H19ClN4O3/c1-16-23(25(32)30(29(16)2)20-6-4-3-5-7-20)28-24(31)18(15-27)14-21-12-13-22(33-21)17-8-10-19(26)11-9-17/h3-14H,1-2H3,(H,28,31)/b18-14+
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n/an/a 2.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50005636
PNG
(CHEMBL3235412)
Show SMILES COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1
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n/an/a 2.90E+3n/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...

Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM75787
PNG
(3-[[4-(2-methyl-2,3-dihydroindole-1-carbonyl)pheny...)
Show SMILES CC1Cc2ccccc2N1C(=O)c1ccc(CNc2c(N3CCC(C)CC3)c(=O)c2=O)cc1
Show InChI InChI=1S/C27H29N3O3/c1-17-11-13-29(14-12-17)24-23(25(31)26(24)32)28-16-19-7-9-20(10-8-19)27(33)30-18(2)15-21-5-3-4-6-22(21)30/h3-10,17-18,28H,11-16H2,1-2H3
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n/an/a 2.98E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM50005641
PNG
(CHEMBL3235416)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(O)=O |r|
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 3.10E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated amyloid beta (1 to 40) hydrolysis preincubated for 10 mins measured after 30 mins by spectrophotometer a...

Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM209044
PNG
(US9243038, 19)
Show SMILES NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C(Cc2ccccc2)NC(=O)\C=C\C(=O)N1 |r,t:56|
Show InChI InChI=1S/C44H52N6O7/c45-41(54)34-18-10-11-25-46-42(55)35(28-31-19-21-33(22-20-31)40(53)32-16-8-3-9-17-32)49-44(57)37(27-30-14-6-2-7-15-30)50-43(56)36(26-29-12-4-1-5-13-29)48-39(52)24-23-38(51)47-34/h1,3-5,8-9,12-13,16-17,19-24,30,34-37H,2,6-7,10-11,14-15,18,25-28H2,(H2,45,54)(H,46,55)(H,47,51)(H,48,52)(H,49,57)(H,50,56)/b24-23+/t34?,35-,36?,37+/m1/s1
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US Patent
n/an/a 3.20E+3n/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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM34981
PNG
(2,3-bis(oxidanyl)-1H-quinolin-4-one | 2,3-dihydrox...)
Show SMILES Oc1c(O)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C9H7NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4,12H,(H2,10,11,13)
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n/an/a 3.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))		BDBM75792
PNG
(2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbony...)
Show SMILES CC1C=CCc2c(O)n(c(O)c12)-c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C |c:2|
Show InChI InChI=1S/C28H31N3O3/c1-18-7-5-12-24(20(18)3)29-13-15-30(16-14-29)26(32)21-9-6-10-22(17-21)31-27(33)23-11-4-8-19(2)25(23)28(31)34/h4-10,12,17,19,33-34H,11,13-16H2,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
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