Found 37 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427698
(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 |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427703
(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 |r,wU:7.7,45.48,11.11,wD:31.32,(15.26,-7.72,;16.62,-8.43,;17.92,-7.6,;16.69,-9.97,;15.39,-10.79,;15.46,-12.33,;14.16,-13.16,;14.24,-14.7,;12.94,-15.53,;11.61,-14.76,;11.61,-13.22,;10.27,-15.53,;10.27,-17.07,;8.94,-17.84,;7.6,-17.07,;8.94,-19.38,;7.6,-20.16,;8.97,-14.76,;8.94,-13.22,;7.58,-12.47,;7.55,-10.93,;8.87,-10.13,;8.84,-8.59,;10.15,-7.8,;11.51,-8.53,;11.55,-10.08,;10.22,-10.88,;10.26,-12.42,;15.6,-15.4,;15.66,-16.95,;16.9,-14.58,;18.26,-15.29,;18.34,-16.83,;19.7,-17.53,;21.15,-17.03,;22.08,-18.26,;21.2,-19.52,;21.54,-21.02,;20.42,-22.07,;18.95,-21.62,;18.6,-20.12,;19.73,-19.07,;19.56,-14.46,;19.49,-12.92,;20.92,-15.17,;22.22,-14.34,;22.16,-12.8,;23.45,-11.98,;23.38,-10.44,;22.02,-9.73,;24.68,-9.61,;23.58,-15.05,;24.88,-14.22,;23.66,-16.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427703
(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 |r,wU:7.7,45.48,11.11,wD:31.32,(15.26,-7.72,;16.62,-8.43,;17.92,-7.6,;16.69,-9.97,;15.39,-10.79,;15.46,-12.33,;14.16,-13.16,;14.24,-14.7,;12.94,-15.53,;11.61,-14.76,;11.61,-13.22,;10.27,-15.53,;10.27,-17.07,;8.94,-17.84,;7.6,-17.07,;8.94,-19.38,;7.6,-20.16,;8.97,-14.76,;8.94,-13.22,;7.58,-12.47,;7.55,-10.93,;8.87,-10.13,;8.84,-8.59,;10.15,-7.8,;11.51,-8.53,;11.55,-10.08,;10.22,-10.88,;10.26,-12.42,;15.6,-15.4,;15.66,-16.95,;16.9,-14.58,;18.26,-15.29,;18.34,-16.83,;19.7,-17.53,;21.15,-17.03,;22.08,-18.26,;21.2,-19.52,;21.54,-21.02,;20.42,-22.07,;18.95,-21.62,;18.6,-20.12,;19.73,-19.07,;19.56,-14.46,;19.49,-12.92,;20.92,-15.17,;22.22,-14.34,;22.16,-12.8,;23.45,-11.98,;23.38,-10.44,;22.02,-9.73,;24.68,-9.61,;23.58,-15.05,;24.88,-14.22,;23.66,-16.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427697
(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 |r,wU:8.8,39.56,71.75,wD:29.31,19.20,4.3,2.2,43.45,57.59,82.86,(26.91,-23.81,;25.59,-23.02,;25.62,-21.49,;26.96,-20.73,;24.29,-20.69,;24.33,-19.15,;25.67,-18.41,;26.99,-19.19,;25.69,-16.86,;24.37,-16.07,;23.02,-16.83,;21.71,-16.03,;20.37,-16.78,;20.34,-18.32,;21.66,-19.11,;23,-18.36,;27.04,-16.12,;28.35,-16.9,;28.34,-18.45,;29.7,-16.16,;31.02,-16.95,;32.36,-16.2,;33.6,-17.12,;34.86,-16.23,;34.4,-14.77,;32.94,-14.55,;29.73,-14.62,;28.4,-13.82,;27.06,-14.58,;28.43,-12.29,;29.77,-11.54,;29.8,-10,;31.15,-9.25,;28.48,-9.21,;27.11,-11.5,;16.32,-19.03,;15,-18.24,;16.3,-20.57,;17.62,-21.36,;17.6,-22.9,;18.91,-23.69,;20.27,-22.94,;20.28,-21.4,;21.58,-23.73,;21.56,-25.27,;20.22,-26.02,;20.19,-27.56,;18.85,-28.31,;18.83,-29.84,;20.14,-30.63,;17.47,-30.59,;22.93,-22.98,;22.95,-21.44,;21.63,-20.65,;16.25,-23.65,;16.23,-25.19,;14.93,-22.86,;13.59,-23.6,;13.6,-25.16,;12.25,-25.91,;10.87,-25.31,;9.83,-26.44,;10.57,-27.78,;10.08,-29.24,;11.09,-30.39,;12.6,-30.1,;13.11,-28.64,;12.09,-27.48,;12.26,-22.81,;12.28,-21.28,;10.92,-23.57,;9.6,-22.77,;9.63,-21.23,;8.3,-20.44,;8.33,-18.9,;7.01,-18.11,;7.03,-16.58,;8.37,-15.83,;5.7,-15.78,;8.25,-23.52,;8.23,-25.06,;6.93,-22.73,;5.59,-23.48,;5.57,-25.02,;4.22,-25.77,;2.91,-24.98,;1.55,-25.73,;1.53,-27.27,;.19,-28.02,;.16,-29.56,;1.48,-30.34,;2.84,-29.6,;2.86,-28.05,;4.2,-27.31,;4.26,-22.69,;4.29,-21.15,;2.92,-23.44,;1.6,-22.65,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427696
(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 |r,wU:7.7,46.49,11.10,wD:32.33,23.25,(13.82,-27.05,;15.18,-27.77,;16.48,-26.94,;15.24,-29.3,;13.95,-30.13,;14.02,-31.67,;12.72,-32.49,;12.79,-34.03,;11.5,-34.86,;10.17,-34.09,;10.17,-32.55,;8.83,-34.87,;7.53,-34.09,;7.5,-32.55,;6.14,-31.8,;6.11,-30.26,;7.43,-29.47,;7.4,-27.93,;8.71,-27.13,;10.07,-27.87,;10.11,-29.41,;8.78,-30.21,;8.82,-31.75,;8.83,-36.41,;10.16,-37.18,;7.49,-37.17,;6.16,-36.41,;7.49,-38.72,;6.16,-39.49,;14.16,-34.74,;14.22,-36.28,;15.45,-33.91,;16.82,-34.62,;16.89,-36.16,;18.25,-36.87,;19.71,-36.36,;20.64,-37.59,;19.75,-38.85,;20.1,-40.35,;18.98,-41.4,;17.51,-40.96,;17.16,-39.45,;18.28,-38.41,;18.12,-33.79,;18.04,-32.26,;19.48,-34.51,;20.78,-33.67,;20.71,-32.14,;22.01,-31.31,;21.94,-29.77,;20.57,-29.06,;23.24,-28.94,;22.14,-34.38,;23.44,-33.56,;22.22,-35.92,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427703
(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 |r,wU:7.7,45.48,11.11,wD:31.32,(15.26,-7.72,;16.62,-8.43,;17.92,-7.6,;16.69,-9.97,;15.39,-10.79,;15.46,-12.33,;14.16,-13.16,;14.24,-14.7,;12.94,-15.53,;11.61,-14.76,;11.61,-13.22,;10.27,-15.53,;10.27,-17.07,;8.94,-17.84,;7.6,-17.07,;8.94,-19.38,;7.6,-20.16,;8.97,-14.76,;8.94,-13.22,;7.58,-12.47,;7.55,-10.93,;8.87,-10.13,;8.84,-8.59,;10.15,-7.8,;11.51,-8.53,;11.55,-10.08,;10.22,-10.88,;10.26,-12.42,;15.6,-15.4,;15.66,-16.95,;16.9,-14.58,;18.26,-15.29,;18.34,-16.83,;19.7,-17.53,;21.15,-17.03,;22.08,-18.26,;21.2,-19.52,;21.54,-21.02,;20.42,-22.07,;18.95,-21.62,;18.6,-20.12,;19.73,-19.07,;19.56,-14.46,;19.49,-12.92,;20.92,-15.17,;22.22,-14.34,;22.16,-12.8,;23.45,-11.98,;23.38,-10.44,;22.02,-9.73,;24.68,-9.61,;23.58,-15.05,;24.88,-14.22,;23.66,-16.59,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427698
(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 |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427700
(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 |r,wU:10.9,35.36,wD:1.0,24.25,(4.44,-15.99,;5.76,-15.2,;5.74,-13.65,;7.07,-12.86,;7.04,-11.33,;5.7,-10.58,;8.36,-10.54,;7.11,-15.95,;7.14,-17.49,;8.43,-15.16,;9.78,-15.91,;9.8,-17.45,;11.15,-18.2,;12.55,-17.55,;13.59,-18.68,;12.85,-20.03,;13.34,-21.48,;12.33,-22.64,;10.81,-22.34,;10.32,-20.89,;11.34,-19.72,;11.11,-15.11,;11.08,-13.58,;12.45,-15.87,;13.77,-15.08,;13.75,-13.54,;15.07,-12.75,;15.05,-11.2,;16.37,-10.41,;16.35,-8.88,;15,-8.12,;17.67,-8.09,;15.12,-15.82,;15.14,-17.36,;16.44,-15.03,;17.78,-15.78,;17.8,-17.32,;19.14,-18.06,;20.45,-17.28,;21.8,-18.02,;21.82,-19.56,;23.16,-20.3,;23.18,-21.83,;21.86,-22.63,;20.52,-21.87,;20.5,-20.34,;19.16,-19.6,;19.1,-14.99,;20.44,-15.74,;19.08,-13.46,;20.39,-12.67,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427696
(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 |r,wU:7.7,46.49,11.10,wD:32.33,23.25,(13.82,-27.05,;15.18,-27.77,;16.48,-26.94,;15.24,-29.3,;13.95,-30.13,;14.02,-31.67,;12.72,-32.49,;12.79,-34.03,;11.5,-34.86,;10.17,-34.09,;10.17,-32.55,;8.83,-34.87,;7.53,-34.09,;7.5,-32.55,;6.14,-31.8,;6.11,-30.26,;7.43,-29.47,;7.4,-27.93,;8.71,-27.13,;10.07,-27.87,;10.11,-29.41,;8.78,-30.21,;8.82,-31.75,;8.83,-36.41,;10.16,-37.18,;7.49,-37.17,;6.16,-36.41,;7.49,-38.72,;6.16,-39.49,;14.16,-34.74,;14.22,-36.28,;15.45,-33.91,;16.82,-34.62,;16.89,-36.16,;18.25,-36.87,;19.71,-36.36,;20.64,-37.59,;19.75,-38.85,;20.1,-40.35,;18.98,-41.4,;17.51,-40.96,;17.16,-39.45,;18.28,-38.41,;18.12,-33.79,;18.04,-32.26,;19.48,-34.51,;20.78,-33.67,;20.71,-32.14,;22.01,-31.31,;21.94,-29.77,;20.57,-29.06,;23.24,-28.94,;22.14,-34.38,;23.44,-33.56,;22.22,-35.92,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427713
(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 |r,wU:7.7,45.48,wD:31.32,11.11,(30.28,-3.68,;31.64,-4.4,;32.94,-3.57,;31.71,-5.93,;30.42,-6.76,;30.48,-8.3,;29.18,-9.12,;29.26,-10.66,;27.96,-11.49,;26.63,-10.72,;26.63,-9.18,;25.29,-11.5,;25.29,-13.04,;23.96,-13.81,;22.62,-13.04,;23.96,-15.35,;22.62,-16.12,;23.99,-10.72,;23.96,-9.18,;22.6,-8.43,;22.57,-6.89,;23.89,-6.1,;23.86,-4.56,;25.17,-3.76,;26.53,-4.5,;26.57,-6.04,;25.25,-6.84,;25.28,-8.38,;30.62,-11.37,;30.69,-12.91,;31.92,-10.54,;33.28,-11.25,;33.36,-12.79,;34.72,-13.5,;36.17,-12.99,;37.1,-14.22,;36.22,-15.48,;36.57,-16.99,;35.44,-18.03,;33.97,-17.59,;33.62,-16.09,;34.75,-15.04,;34.58,-10.43,;34.51,-8.89,;35.95,-11.14,;37.24,-10.3,;37.18,-8.77,;38.48,-7.94,;38.4,-6.4,;37.04,-5.69,;39.7,-5.57,;38.61,-11.02,;39.9,-10.19,;38.68,-12.55,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427715
(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 |r,wU:4.3,27.28,37.38,wD:13.12,(33.53,-12.27,;33.55,-13.81,;32.23,-14.6,;34.89,-14.56,;36.21,-13.77,;36.19,-12.23,;37.52,-11.44,;37.5,-9.9,;36.15,-9.14,;38.82,-9.11,;37.56,-14.53,;37.58,-16.07,;38.88,-13.74,;40.23,-14.49,;40.25,-16.03,;41.5,-16.94,;42.97,-16.48,;43.86,-17.74,;42.94,-18.98,;43.25,-20.49,;42.1,-21.52,;40.64,-21.02,;40.32,-19.52,;41.48,-18.49,;41.56,-13.7,;41.54,-12.16,;42.9,-14.45,;44.23,-13.67,;44.21,-12.12,;45.53,-11.33,;45.52,-9.79,;44.17,-9.03,;42.85,-9.82,;42.88,-11.37,;41.5,-9.08,;45.57,-14.42,;45.6,-15.96,;46.89,-13.63,;48.24,-14.37,;48.26,-15.91,;46.94,-16.7,;49.6,-16.66,;49.63,-18.2,;46.87,-12.09,;48.19,-11.3,;49.53,-12.05,;50.84,-11.27,;50.82,-9.72,;52.13,-8.93,;52.1,-7.39,;50.74,-6.65,;49.44,-7.45,;49.47,-8.98,;48.16,-9.77,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427699
(CHEMBL2324205)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#8] |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427701
(CHEMBL2324203)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#8]-[#6]-[#6]=[#6] |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427702
(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 |r,wU:7.7,46.49,11.10,23.25,wD:32.33,(39.49,-27.52,;40.85,-28.23,;42.15,-27.4,;40.92,-29.77,;39.62,-30.59,;39.69,-32.13,;38.39,-32.96,;38.47,-34.5,;37.17,-35.33,;35.84,-34.56,;35.84,-33.02,;34.5,-35.33,;33.2,-34.56,;33.17,-33.02,;31.81,-32.27,;31.78,-30.73,;33.1,-29.93,;33.07,-28.39,;34.38,-27.6,;35.74,-28.33,;35.78,-29.87,;34.45,-30.68,;34.49,-32.22,;34.5,-36.87,;35.83,-37.64,;33.17,-37.64,;31.83,-36.87,;33.17,-39.18,;31.83,-39.96,;39.83,-35.2,;39.89,-36.74,;41.13,-34.38,;42.49,-35.09,;42.56,-36.63,;43.93,-37.33,;45.38,-36.83,;46.31,-38.06,;45.43,-39.32,;45.77,-40.82,;44.65,-41.87,;43.18,-41.42,;42.83,-39.92,;43.96,-38.87,;43.79,-34.26,;43.72,-32.72,;45.15,-34.97,;46.45,-34.14,;46.39,-32.6,;47.68,-31.78,;47.61,-30.24,;46.25,-29.52,;48.91,-29.41,;47.81,-34.85,;49.11,-34.02,;47.89,-36.39,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427701
(CHEMBL2324203)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#8]-[#6]-[#6]=[#6] |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427697
(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 |r,wU:8.8,39.56,71.75,wD:29.31,19.20,4.3,2.2,43.45,57.59,82.86,(26.91,-23.81,;25.59,-23.02,;25.62,-21.49,;26.96,-20.73,;24.29,-20.69,;24.33,-19.15,;25.67,-18.41,;26.99,-19.19,;25.69,-16.86,;24.37,-16.07,;23.02,-16.83,;21.71,-16.03,;20.37,-16.78,;20.34,-18.32,;21.66,-19.11,;23,-18.36,;27.04,-16.12,;28.35,-16.9,;28.34,-18.45,;29.7,-16.16,;31.02,-16.95,;32.36,-16.2,;33.6,-17.12,;34.86,-16.23,;34.4,-14.77,;32.94,-14.55,;29.73,-14.62,;28.4,-13.82,;27.06,-14.58,;28.43,-12.29,;29.77,-11.54,;29.8,-10,;31.15,-9.25,;28.48,-9.21,;27.11,-11.5,;16.32,-19.03,;15,-18.24,;16.3,-20.57,;17.62,-21.36,;17.6,-22.9,;18.91,-23.69,;20.27,-22.94,;20.28,-21.4,;21.58,-23.73,;21.56,-25.27,;20.22,-26.02,;20.19,-27.56,;18.85,-28.31,;18.83,-29.84,;20.14,-30.63,;17.47,-30.59,;22.93,-22.98,;22.95,-21.44,;21.63,-20.65,;16.25,-23.65,;16.23,-25.19,;14.93,-22.86,;13.59,-23.6,;13.6,-25.16,;12.25,-25.91,;10.87,-25.31,;9.83,-26.44,;10.57,-27.78,;10.08,-29.24,;11.09,-30.39,;12.6,-30.1,;13.11,-28.64,;12.09,-27.48,;12.26,-22.81,;12.28,-21.28,;10.92,-23.57,;9.6,-22.77,;9.63,-21.23,;8.3,-20.44,;8.33,-18.9,;7.01,-18.11,;7.03,-16.58,;8.37,-15.83,;5.7,-15.78,;8.25,-23.52,;8.23,-25.06,;6.93,-22.73,;5.59,-23.48,;5.57,-25.02,;4.22,-25.77,;2.91,-24.98,;1.55,-25.73,;1.53,-27.27,;.19,-28.02,;.16,-29.56,;1.48,-30.34,;2.84,-29.6,;2.86,-28.05,;4.2,-27.31,;4.26,-22.69,;4.29,-21.15,;2.92,-23.44,;1.6,-22.65,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427700
(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 |r,wU:10.9,35.36,wD:1.0,24.25,(4.44,-15.99,;5.76,-15.2,;5.74,-13.65,;7.07,-12.86,;7.04,-11.33,;5.7,-10.58,;8.36,-10.54,;7.11,-15.95,;7.14,-17.49,;8.43,-15.16,;9.78,-15.91,;9.8,-17.45,;11.15,-18.2,;12.55,-17.55,;13.59,-18.68,;12.85,-20.03,;13.34,-21.48,;12.33,-22.64,;10.81,-22.34,;10.32,-20.89,;11.34,-19.72,;11.11,-15.11,;11.08,-13.58,;12.45,-15.87,;13.77,-15.08,;13.75,-13.54,;15.07,-12.75,;15.05,-11.2,;16.37,-10.41,;16.35,-8.88,;15,-8.12,;17.67,-8.09,;15.12,-15.82,;15.14,-17.36,;16.44,-15.03,;17.78,-15.78,;17.8,-17.32,;19.14,-18.06,;20.45,-17.28,;21.8,-18.02,;21.82,-19.56,;23.16,-20.3,;23.18,-21.83,;21.86,-22.63,;20.52,-21.87,;20.5,-20.34,;19.16,-19.6,;19.1,-14.99,;20.44,-15.74,;19.08,-13.46,;20.39,-12.67,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 228 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427697
(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 |r,wU:8.8,39.56,71.75,wD:29.31,19.20,4.3,2.2,43.45,57.59,82.86,(26.91,-23.81,;25.59,-23.02,;25.62,-21.49,;26.96,-20.73,;24.29,-20.69,;24.33,-19.15,;25.67,-18.41,;26.99,-19.19,;25.69,-16.86,;24.37,-16.07,;23.02,-16.83,;21.71,-16.03,;20.37,-16.78,;20.34,-18.32,;21.66,-19.11,;23,-18.36,;27.04,-16.12,;28.35,-16.9,;28.34,-18.45,;29.7,-16.16,;31.02,-16.95,;32.36,-16.2,;33.6,-17.12,;34.86,-16.23,;34.4,-14.77,;32.94,-14.55,;29.73,-14.62,;28.4,-13.82,;27.06,-14.58,;28.43,-12.29,;29.77,-11.54,;29.8,-10,;31.15,-9.25,;28.48,-9.21,;27.11,-11.5,;16.32,-19.03,;15,-18.24,;16.3,-20.57,;17.62,-21.36,;17.6,-22.9,;18.91,-23.69,;20.27,-22.94,;20.28,-21.4,;21.58,-23.73,;21.56,-25.27,;20.22,-26.02,;20.19,-27.56,;18.85,-28.31,;18.83,-29.84,;20.14,-30.63,;17.47,-30.59,;22.93,-22.98,;22.95,-21.44,;21.63,-20.65,;16.25,-23.65,;16.23,-25.19,;14.93,-22.86,;13.59,-23.6,;13.6,-25.16,;12.25,-25.91,;10.87,-25.31,;9.83,-26.44,;10.57,-27.78,;10.08,-29.24,;11.09,-30.39,;12.6,-30.1,;13.11,-28.64,;12.09,-27.48,;12.26,-22.81,;12.28,-21.28,;10.92,-23.57,;9.6,-22.77,;9.63,-21.23,;8.3,-20.44,;8.33,-18.9,;7.01,-18.11,;7.03,-16.58,;8.37,-15.83,;5.7,-15.78,;8.25,-23.52,;8.23,-25.06,;6.93,-22.73,;5.59,-23.48,;5.57,-25.02,;4.22,-25.77,;2.91,-24.98,;1.55,-25.73,;1.53,-27.27,;.19,-28.02,;.16,-29.56,;1.48,-30.34,;2.84,-29.6,;2.86,-28.05,;4.2,-27.31,;4.26,-22.69,;4.29,-21.15,;2.92,-23.44,;1.6,-22.65,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427696
(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 |r,wU:7.7,46.49,11.10,wD:32.33,23.25,(13.82,-27.05,;15.18,-27.77,;16.48,-26.94,;15.24,-29.3,;13.95,-30.13,;14.02,-31.67,;12.72,-32.49,;12.79,-34.03,;11.5,-34.86,;10.17,-34.09,;10.17,-32.55,;8.83,-34.87,;7.53,-34.09,;7.5,-32.55,;6.14,-31.8,;6.11,-30.26,;7.43,-29.47,;7.4,-27.93,;8.71,-27.13,;10.07,-27.87,;10.11,-29.41,;8.78,-30.21,;8.82,-31.75,;8.83,-36.41,;10.16,-37.18,;7.49,-37.17,;6.16,-36.41,;7.49,-38.72,;6.16,-39.49,;14.16,-34.74,;14.22,-36.28,;15.45,-33.91,;16.82,-34.62,;16.89,-36.16,;18.25,-36.87,;19.71,-36.36,;20.64,-37.59,;19.75,-38.85,;20.1,-40.35,;18.98,-41.4,;17.51,-40.96,;17.16,-39.45,;18.28,-38.41,;18.12,-33.79,;18.04,-32.26,;19.48,-34.51,;20.78,-33.67,;20.71,-32.14,;22.01,-31.31,;21.94,-29.77,;20.57,-29.06,;23.24,-28.94,;22.14,-34.38,;23.44,-33.56,;22.22,-35.92,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 275 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427699
(CHEMBL2324205)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#8] |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 365 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427698
(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 |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427709
(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 |r,wU:7.7,11.10,23.25,wD:32.33,(30.16,-40.23,;31.52,-40.94,;32.82,-40.11,;31.59,-42.48,;30.3,-43.3,;30.36,-44.84,;29.07,-45.67,;29.14,-47.21,;27.84,-48.04,;26.51,-47.27,;26.51,-45.73,;25.18,-48.04,;23.87,-47.27,;23.84,-45.73,;22.48,-44.98,;22.46,-43.44,;23.77,-42.64,;23.74,-41.1,;25.06,-40.31,;26.42,-41.04,;26.45,-42.59,;25.13,-43.39,;25.16,-44.93,;25.18,-49.58,;26.5,-50.35,;23.84,-50.35,;22.5,-49.58,;23.84,-51.89,;22.5,-52.67,;30.5,-47.91,;30.57,-49.45,;31.8,-47.09,;33.16,-47.8,;33.24,-49.34,;34.6,-50.04,;36.05,-49.54,;36.98,-50.77,;36.1,-52.03,;36.45,-53.53,;35.32,-54.58,;33.85,-54.13,;33.5,-52.63,;34.63,-51.58,;34.46,-46.97,;35.83,-47.68,;34.39,-45.43,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 498 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427699
(CHEMBL2324205)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#8] |r| 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 | PDB
MMDB
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B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 833 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427702
(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 |r,wU:7.7,46.49,11.10,23.25,wD:32.33,(39.49,-27.52,;40.85,-28.23,;42.15,-27.4,;40.92,-29.77,;39.62,-30.59,;39.69,-32.13,;38.39,-32.96,;38.47,-34.5,;37.17,-35.33,;35.84,-34.56,;35.84,-33.02,;34.5,-35.33,;33.2,-34.56,;33.17,-33.02,;31.81,-32.27,;31.78,-30.73,;33.1,-29.93,;33.07,-28.39,;34.38,-27.6,;35.74,-28.33,;35.78,-29.87,;34.45,-30.68,;34.49,-32.22,;34.5,-36.87,;35.83,-37.64,;33.17,-37.64,;31.83,-36.87,;33.17,-39.18,;31.83,-39.96,;39.83,-35.2,;39.89,-36.74,;41.13,-34.38,;42.49,-35.09,;42.56,-36.63,;43.93,-37.33,;45.38,-36.83,;46.31,-38.06,;45.43,-39.32,;45.77,-40.82,;44.65,-41.87,;43.18,-41.42,;42.83,-39.92,;43.96,-38.87,;43.79,-34.26,;43.72,-32.72,;45.15,-34.97,;46.45,-34.14,;46.39,-32.6,;47.68,-31.78,;47.61,-30.24,;46.25,-29.52,;48.91,-29.41,;47.81,-34.85,;49.11,-34.02,;47.89,-36.39,)| 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 | PDB
MMDB
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UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 927 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427714
(CHEMBL2324208)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427701
(CHEMBL2324203)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#8]-[#6]-[#6]=[#6] |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427702
(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 |r,wU:7.7,46.49,11.10,23.25,wD:32.33,(39.49,-27.52,;40.85,-28.23,;42.15,-27.4,;40.92,-29.77,;39.62,-30.59,;39.69,-32.13,;38.39,-32.96,;38.47,-34.5,;37.17,-35.33,;35.84,-34.56,;35.84,-33.02,;34.5,-35.33,;33.2,-34.56,;33.17,-33.02,;31.81,-32.27,;31.78,-30.73,;33.1,-29.93,;33.07,-28.39,;34.38,-27.6,;35.74,-28.33,;35.78,-29.87,;34.45,-30.68,;34.49,-32.22,;34.5,-36.87,;35.83,-37.64,;33.17,-37.64,;31.83,-36.87,;33.17,-39.18,;31.83,-39.96,;39.83,-35.2,;39.89,-36.74,;41.13,-34.38,;42.49,-35.09,;42.56,-36.63,;43.93,-37.33,;45.38,-36.83,;46.31,-38.06,;45.43,-39.32,;45.77,-40.82,;44.65,-41.87,;43.18,-41.42,;42.83,-39.92,;43.96,-38.87,;43.79,-34.26,;43.72,-32.72,;45.15,-34.97,;46.45,-34.14,;46.39,-32.6,;47.68,-31.78,;47.61,-30.24,;46.25,-29.52,;48.91,-29.41,;47.81,-34.85,;49.11,-34.02,;47.89,-36.39,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427700
(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 |r,wU:10.9,35.36,wD:1.0,24.25,(4.44,-15.99,;5.76,-15.2,;5.74,-13.65,;7.07,-12.86,;7.04,-11.33,;5.7,-10.58,;8.36,-10.54,;7.11,-15.95,;7.14,-17.49,;8.43,-15.16,;9.78,-15.91,;9.8,-17.45,;11.15,-18.2,;12.55,-17.55,;13.59,-18.68,;12.85,-20.03,;13.34,-21.48,;12.33,-22.64,;10.81,-22.34,;10.32,-20.89,;11.34,-19.72,;11.11,-15.11,;11.08,-13.58,;12.45,-15.87,;13.77,-15.08,;13.75,-13.54,;15.07,-12.75,;15.05,-11.2,;16.37,-10.41,;16.35,-8.88,;15,-8.12,;17.67,-8.09,;15.12,-15.82,;15.14,-17.36,;16.44,-15.03,;17.78,-15.78,;17.8,-17.32,;19.14,-18.06,;20.45,-17.28,;21.8,-18.02,;21.82,-19.56,;23.16,-20.3,;23.18,-21.83,;21.86,-22.63,;20.52,-21.87,;20.5,-20.34,;19.16,-19.6,;19.1,-14.99,;20.44,-15.74,;19.08,-13.46,;20.39,-12.67,)| 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 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427704
(CHEMBL2324218)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#8]-[#6]-[#6]=[#6] |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427708
(CHEMBL2324214)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6@@H](-[#8])-[#6](=O)-[#7]-[#8])-[#6](-[#7])=O |r| 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 | PDB
MMDB
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UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427710
(CHEMBL2324212)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6@H](-[#8])-[#6](=O)-[#7]-[#8])-[#6](-[#7])=O |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427711
(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 |r,wU:7.7,11.10,wD:32.33,23.25,(34.92,-22.98,;36.29,-23.69,;37.59,-22.86,;36.35,-25.23,;35.06,-26.05,;35.13,-27.59,;33.83,-28.42,;33.9,-29.96,;32.6,-30.79,;31.28,-30.02,;31.28,-28.48,;29.94,-30.79,;28.63,-30.02,;28.6,-28.48,;27.25,-27.73,;27.22,-26.19,;28.54,-25.39,;28.5,-23.85,;29.82,-23.06,;31.18,-23.79,;31.22,-25.33,;29.89,-26.14,;29.92,-27.68,;29.94,-32.33,;31.27,-33.1,;28.6,-33.1,;27.27,-32.33,;28.6,-34.64,;27.27,-35.42,;35.26,-30.66,;35.33,-32.2,;36.56,-29.84,;37.93,-30.55,;38,-32.09,;39.36,-32.79,;40.81,-32.29,;41.74,-33.52,;40.86,-34.78,;41.21,-36.28,;40.09,-37.33,;38.62,-36.88,;38.27,-35.38,;39.39,-34.33,;39.23,-29.72,;40.59,-30.43,;39.15,-28.18,)| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427705
(CHEMBL2324217)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6@H](-[#8])-[#6](=O)-[#7]-[#8])-[#6](-[#7])=O |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427706
(CHEMBL2324216)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427707
(CHEMBL2324215)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Insulin-degrading enzyme
(Homo sapiens (Human)) | BDBM50427712
(CHEMBL2324210)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
Matrilysin
(Homo sapiens (Human)) | BDBM50427696
(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 |r,wU:7.7,46.49,11.10,wD:32.33,23.25,(13.82,-27.05,;15.18,-27.77,;16.48,-26.94,;15.24,-29.3,;13.95,-30.13,;14.02,-31.67,;12.72,-32.49,;12.79,-34.03,;11.5,-34.86,;10.17,-34.09,;10.17,-32.55,;8.83,-34.87,;7.53,-34.09,;7.5,-32.55,;6.14,-31.8,;6.11,-30.26,;7.43,-29.47,;7.4,-27.93,;8.71,-27.13,;10.07,-27.87,;10.11,-29.41,;8.78,-30.21,;8.82,-31.75,;8.83,-36.41,;10.16,-37.18,;7.49,-37.17,;6.16,-36.41,;7.49,-38.72,;6.16,-39.49,;14.16,-34.74,;14.22,-36.28,;15.45,-33.91,;16.82,-34.62,;16.89,-36.16,;18.25,-36.87,;19.71,-36.36,;20.64,-37.59,;19.75,-38.85,;20.1,-40.35,;18.98,-41.4,;17.51,-40.96,;17.16,-39.45,;18.28,-38.41,;18.12,-33.79,;18.04,-32.26,;19.48,-34.51,;20.78,-33.67,;20.71,-32.14,;22.01,-31.31,;21.94,-29.77,;20.57,-29.06,;23.24,-28.94,;22.14,-34.38,;23.44,-33.56,;22.22,-35.92,)| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Mayo Clinic
Curated by ChEMBL
| Assay Description
Inhibition of MMP7 (unknown origin)-mediated omniMMP degradation |
J Med Chem 56: 2246-55 (2013)
Article DOI: 10.1021/jm301280p
BindingDB Entry DOI: 10.7270/Q2DB836R |
More data for this
Ligand-Target Pair | |
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