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Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'saghatelian' and Initial = 'a'   
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
insulin-degrading enzyme isoform 1 precursor


(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=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)


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|
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n/an/a 60n/an/an/an/an/an/a



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US Patent




US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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 (mIDE)


(Mus musculus (Mouse))
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=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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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 (mIDE)


(Mus musculus (Mouse))
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=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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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 isoform 1 precursor


(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=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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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 isoform 1 precursor


(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=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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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
Androgen-induced gene 1 protein (AIG1)


(Homo sapiens (Human))
BDBM195603
PNG
(KC01)
Show SMILES CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
Show InChI InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-19(22(25)26-20)16-13-12-15-18-21(23)24/h16,20H,2-15,17-18H2,1H3,(H2,23,24)/b19-16-
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n/an/a 170n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
Androgen-induced gene 1 protein (AIG1)


(Homo sapiens (Human))
BDBM195604
PNG
(JJH260)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN2C(C1)C(=O)N(OC(=O)N1CCC(CCc3ccc(Cl)cc3)CC1)C2=O
Show InChI InChI=1/C29H34ClN5O5/c1-31(2)24-11-7-22(8-12-24)26(36)33-17-18-34-25(19-33)27(37)35(28(34)38)40-29(39)32-15-13-21(14-16-32)4-3-20-5-9-23(30)10-6-20/h5-12,21,25H,3-4,13-19H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=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)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=1/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?/s2
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n/an/a 570n/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
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 600n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type c-Fyn


Nat Chem Biol 1: 130-42 (2006)


Article DOI: 10.1038/nchembio0805-130
BindingDB Entry DOI: 10.7270/Q2RN383S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 600n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type c-Abl


Nat Chem Biol 1: 130-42 (2006)


Article DOI: 10.1038/nchembio0805-130
BindingDB Entry DOI: 10.7270/Q2RN383S
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|
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n/an/a 1.00E+3n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent




US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50298225
PNG
(CHEMBL2069955 | CHEMBL573578 | NM-PP1 | US9765037,...)
Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type c-Fyn


Nat Chem Biol 1: 130-42 (2006)


Article DOI: 10.1038/nchembio0805-130
BindingDB Entry DOI: 10.7270/Q2RN383S
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=1/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-/s2
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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
Androgen-dependent TFPI-regulating protein (ADTRP)


(Homo sapiens (Human))
BDBM195603
PNG
(KC01)
Show SMILES CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
Show InChI InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-19(22(25)26-20)16-13-12-15-18-21(23)24/h16,20H,2-15,17-18H2,1H3,(H2,23,24)/b19-16-
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=1/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+/s2
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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))
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|
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President and Fellows of Harvard College

US Patent




US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=1/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+/s2
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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 isoform 1 precursor


(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=1/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+/s2
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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 isoform 1 precursor


(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=1/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+/s2
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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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50298225
PNG
(CHEMBL2069955 | CHEMBL573578 | NM-PP1 | US9765037,...)
Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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n/an/a 3.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type c-Abl


Nat Chem Biol 1: 130-42 (2006)


Article DOI: 10.1038/nchembio0805-130
BindingDB Entry DOI: 10.7270/Q2RN383S
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM209050
PNG
(US9243038, 25)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,c:9|
Show InChI InChI=1/C43H59N9O8/c44-36(53)20-19-33-42(59)51-35(26-28-10-3-1-4-11-28)43(60)50-34(27-29-15-17-31(18-16-29)39(56)30-12-5-2-6-13-30)41(58)47-24-8-7-23-46-32(40(45)57)14-9-25-48-52-38(55)22-21-37(54)49-33/h2,5-6,12-13,15-18,21-22,28,32-35,46,48H,1,3-4,7-11,14,19-20,23-27H2,(H2,44,53)(H2,45,57)(H,47,58)(H,49,54)(H,50,60)(H,51,59)(H,52,55)/b22-21-/t32?,33-,34+,35-/s2
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n/an/a 5.00E+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))
BDBM314095
PNG
(US9610322, 6a (cis 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|
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n/an/a 5.60E+3n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent




US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=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 5.60E+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 isoform 1 precursor


(Homo sapiens (Human))
BDBM209036
PNG
(US9243038, 9)
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(Cc2ccccc2)NC1=O)C(N)=O |r,t:9|
Show InChI InChI=1/C40H45N7O8/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/h1-6,9-12,14-17,20-21,29-32H,7-8,13,18-19,22-24H2,(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 6.00E+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 isoform 1 precursor


(Homo sapiens (Human))
BDBM209047
PNG
(US9243038, 24)
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(N)=O |r,c:9|
Show InChI InChI=1/C44H61N9O8/c45-37(54)21-20-34-43(60)52-36(27-29-11-3-1-4-12-29)44(61)51-35(28-30-16-18-32(19-17-30)40(57)31-13-5-2-6-14-31)42(59)48-25-10-9-24-47-33(41(46)58)15-7-8-26-49-53-39(56)23-22-38(55)50-34/h2,5-6,13-14,16-19,22-23,29,33-36,47,49H,1,3-4,7-12,15,20-21,24-28H2,(H2,45,54)(H2,46,58)(H,48,59)(H,50,55)(H,51,61)(H,52,60)(H,53,56)/b23-22-/t33?,34-,35+,36-/s2
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n/an/a 7.00E+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
Androgen-dependent TFPI-regulating protein (ADTRP)


(Homo sapiens (Human))
BDBM195604
PNG
(JJH260)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCN2C(C1)C(=O)N(OC(=O)N1CCC(CCc3ccc(Cl)cc3)CC1)C2=O
Show InChI InChI=1/C29H34ClN5O5/c1-31(2)24-11-7-22(8-12-24)26(36)33-17-18-34-25(19-33)27(37)35(28(34)38)40-29(39)32-15-13-21(14-16-32)4-3-20-5-9-23(30)10-6-20/h5-12,21,25H,3-4,13-19H2,1-2H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Tissue and cell proteomes (50 μL) were treated with either FP-rhodamine (1 μM) or WHP01 (2 μM) for 30 min at 37 C. The reactions were...


Nat Chem Biol 12: 367-72 (2016)


Article DOI: 10.1038/nchembio.2051
BindingDB Entry DOI: 10.7270/Q2N015CW
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM209035
PNG
(US9243038, 7)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)C(Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
Show InChI InChI=1/C33H47N7O7/c34-27(41)15-14-24-32(46)40-26(20-22-11-5-2-6-12-22)33(47)39-25(19-21-9-3-1-4-10-21)31(45)36-18-8-7-13-23(30(35)44)37-28(42)16-17-29(43)38-24/h1,3-4,9-10,16-17,22-26H,2,5-8,11-15,18-20H2,(H2,34,41)(H2,35,44)(H,36,45)(H,37,42)(H,38,43)(H,39,47)(H,40,46)/b17-16+/t23-,24-,25?,26-/s2
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n/an/a>1.00E+4n/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 isoform 1 precursor


(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=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 1.00E+4n/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))
BDBM314087
PNG
(US9610322, 2 (cis olefin))
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)\C=C\C(=O)NC(CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:11|
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n/an/a 1.00E+4n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent




US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM209039
PNG
(US9243038, 12)
Show SMILES CC(C)C(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NCCCC[C@H](NC(=O)\C=C\C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(N)=O |r|
Show InChI InChI=1/C35H45N7O8/c1-21(2)34(49)42-27(20-22-11-13-24(14-12-22)31(46)23-8-4-3-5-9-23)35(50)39-19-7-6-10-25(32(37)47)40-29(44)17-18-30(45)41-26(33(38)48)15-16-28(36)43/h3-5,8-9,11-14,17-18,21,25-27H,6-7,10,15-16,19-20H2,1-2H3,(H2,36,43)(H2,37,47)(H2,38,48)(H,39,50)(H,40,44)(H,41,45)(H,42,49)/b18-17+/t25-,26-,27+/s2
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n/an/a>1.00E+4n/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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 1.80E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type CDK2


Nat Chem Biol 1: 130-42 (2006)


Article DOI: 10.1038/nchembio0805-130
BindingDB Entry DOI: 10.7270/Q2RN383S
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM60940
PNG
(US9243038, 18 | US9243038, 23)
Show SMILES NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)NC(=O)\C=C\C(=O)N1 |r,t:47|
Show InChI InChI=1/C36H44N6O7/c37-33(46)27-13-7-8-20-38-34(47)28(22-24-14-16-26(17-15-24)32(45)25-11-5-2-6-12-25)40-35(48)29(21-23-9-3-1-4-10-23)41-36(49)42-31(44)19-18-30(43)39-27/h2,5-6,11-12,14-19,23,27-29H,1,3-4,7-10,13,20-22H2,(H2,37,46)(H,38,47)(H,39,43)(H,40,48)(H2,41,42,44,49)/b19-18+/t27?,28-,29+/s2
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n/an/a>2.00E+4n/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 isoform 1 precursor


(Homo sapiens (Human))
BDBM209026
PNG
(US9243038, 3a (cis 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,t:59|
Show InChI InChI=1/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+/s2
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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))
BDBM314088
PNG
(US9610322, 3a (cis 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|
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President and Fellows of Harvard College

US Patent




US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(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=1/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-/s2
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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))
BDBM314093
PNG
(US9610322, 5a (cis 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|
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President and Fellows of Harvard College

US Patent




US Patent US9610322 (2017)


BindingDB Entry DOI: 10.7270/Q29Z970C
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM209040
PNG
(US9243038, 14)
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=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>2.00E+4n/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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50298225
PNG
(CHEMBL2069955 | CHEMBL573578 | NM-PP1 | US9765037,...)
Show SMILES CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
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n/an/a 2.90E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type CDK2


Nat Chem Biol 1: 130-42 (2006)


Article DOI: 10.1038/nchembio0805-130
BindingDB Entry DOI: 10.7270/Q2RN383S
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM209023
PNG
(US9243038, 1 (cis olefin))
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)CNC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
Show InChI InChI=1/C26H41N7O7/c27-20(34)10-9-18-26(40)33-19(14-16-6-2-1-3-7-16)25(39)30-15-23(37)29-13-5-4-8-17(24(28)38)31-21(35)11-12-22(36)32-18/h11-12,16-19H,1-10,13-15H2,(H2,27,34)(H2,28,38)(H,29,37)(H,30,39)(H,31,35)(H,32,36)(H,33,40)/b12-11+/t17-,18-,19-/s2
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UniChem
US Patent
n/an/a>1.00E+5n/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
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