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Compile Data Set for Download or QSAR

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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


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


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated insulin degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


(Homo sapiens)
BDBM50427712
PNG
(CHEMBL2324210)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C21H28N6O4/c22-19(29)17(6-3-9-25-21(23)24)26-20(30)16(12-18(28)27-31)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16-17,31H,3,6,9,11-12H2,(H2,22,29)(H,26,30)(H,27,28)(H4,23,24,25)/t16-,17-/m0/s1
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>3.30E+4n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


(Homo sapiens)
BDBM50427707
PNG
(CHEMBL2324215)
Show SMILES NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C22H30N6O4/c23-20(30)18(7-3-4-10-26-22(24)25)27-21(31)17(13-19(29)28-32)12-14-8-9-15-5-1-2-6-16(15)11-14/h1-2,5-6,8-9,11,17-18,32H,3-4,7,10,12-13H2,(H2,23,30)(H,27,31)(H,28,29)(H4,24,25,26)/t17-,18+/m1/s1
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>3.30E+4n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


(Homo sapiens)
BDBM50427705
PNG
(CHEMBL2324217)
Show SMILES NC(N)=NCCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(N)=O
Show InChI InChI=1S/C22H30N6O5/c23-19(30)17(7-3-4-10-26-22(24)25)27-20(31)16(18(29)21(32)28-33)12-13-8-9-14-5-1-2-6-15(14)11-13/h1-2,5-6,8-9,11,16-18,29,33H,3-4,7,10,12H2,(H2,23,30)(H,27,31)(H,28,32)(H4,24,25,26)/t16-,17+,18+/m1/s1
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>3.30E+4n/an/an/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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 isoform 1 precursor


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



Mayo Clinic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated FRET1 degradation


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
Beta-secretase 1


(Homo sapiens (Human))
BDBM16034
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM16034
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254744
PNG
(CHEMBL474057 | N8-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-33(39)28-19-25(20-31-27(28)14-8-9-17-40-31)32(38)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,39)(H,36,38)/t22-,29+,30-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254714
PNG
(CHEMBL473854 | N7-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-32(38)27-18-24(19-30-26(27)13-8-16-39-30)31(37)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254785
PNG
(CHEMBL464918 | N6-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C33H39N3O4/c1-22(24-12-6-3-7-13-24)35-32(38)25-19-28(27-14-8-9-17-40-31(27)20-25)33(39)36-29(18-23-10-4-2-5-11-23)30(37)21-34-26-15-16-26/h2-7,10-13,19-20,22,26,29-30,34,37H,8-9,14-18,21H2,1H3,(H,35,38)(H,36,39)/t22-,29+,30-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254784
PNG
(CHEMBL517179 | N5-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C32H37N3O4/c1-21(23-11-6-3-7-12-23)34-31(37)24-18-27(26-13-8-16-39-30(26)19-24)32(38)35-28(17-22-9-4-2-5-10-22)29(36)20-33-25-14-15-25/h2-7,9-12,18-19,21,25,28-29,33,36H,8,13-17,20H2,1H3,(H,34,37)(H,35,38)/t21-,28+,29-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM16034
PNG
(1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50254711
PNG
(CHEMBL443087 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1
Show InChI InChI=1S/C32H38N4O5S/c1-22(24-11-6-3-7-12-24)34-31(38)25-18-26(20-28(19-25)36-15-8-16-42(36,40)41)32(39)35-29(17-23-9-4-2-5-10-23)30(37)21-33-27-13-14-27/h2-7,9-12,18-20,22,27,29-30,33,37H,8,13-17,21H2,1H3,(H,34,38)(H,35,39)/t22-,29+,30-/m1/s1
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n/an/a 141n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254712
PNG
(CHEMBL499468 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1
Show InChI InChI=1S/C33H40N4O5S/c1-23(25-12-6-3-7-13-25)35-32(39)26-19-27(21-29(20-26)37-16-8-9-17-43(37,41)42)33(40)36-30(18-24-10-4-2-5-11-24)31(38)22-34-28-14-15-28/h2-7,10-13,19-21,23,28,30-31,34,38H,8-9,14-18,22H2,1H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50254712
PNG
(CHEMBL499468 | N-((1S,2R)-1-Benzyl-3-cyclopropylam...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1
Show InChI InChI=1S/C33H40N4O5S/c1-23(25-12-6-3-7-13-25)35-32(39)26-19-27(21-29(20-26)37-16-8-9-17-43(37,41)42)33(40)36-30(18-24-10-4-2-5-11-24)31(38)22-34-28-14-15-28/h2-7,10-13,19-21,23,28,30-31,34,38H,8-9,14-18,22H2,1H3,(H,35,39)(H,36,40)/t23-,30+,31-/m1/s1
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n/an/a 251n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254746
PNG
(CHEMBL446879 | N8-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C33H38FN3O4/c1-21(23-10-12-25(34)13-11-23)36-33(40)28-18-24(19-31-27(28)9-5-6-16-41-31)32(39)37-29(17-22-7-3-2-4-8-22)30(38)20-35-26-14-15-26/h2-4,7-8,10-13,18-19,21,26,29-30,35,38H,5-6,9,14-17,20H2,1H3,(H,36,40)(H,37,39)/t21-,29+,30-/m1/s1
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n/an/a 262n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254713
PNG
(CHEMBL514310 | N6-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C32H35N3O4/c1-20-15-26-27(32(38)34-21(2)23-11-7-4-8-12-23)17-24(18-30(26)39-20)31(37)35-28(16-22-9-5-3-6-10-22)29(36)19-33-25-13-14-25/h3-12,15,17-18,21,25,28-29,33,36H,13-14,16,19H2,1-2H3,(H,34,38)(H,35,37)/t21-,28+,29-/m1/s1
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n/an/a 524n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254745
PNG
(CHEMBL463864 | N7-((2S,3R)-4-(cyclopropylamino)-3-...)
Show SMILES C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C32H36FN3O4/c1-20(22-9-11-24(33)12-10-22)35-32(39)27-17-23(18-30-26(27)8-5-15-40-30)31(38)36-28(16-21-6-3-2-4-7-21)29(37)19-34-25-13-14-25/h2-4,6-7,9-12,17-18,20,25,28-29,34,37H,5,8,13-16,19H2,1H3,(H,35,39)(H,36,38)/t20-,28+,29-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50254708
PNG
(4'-Chloro-biphenyl-3,5-dicarboxylic acid 3-[((1S,2...)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
Show InChI InChI=1S/C35H36ClN3O3/c1-23(25-10-6-3-7-11-25)38-34(41)28-19-27(26-12-14-30(36)15-13-26)20-29(21-28)35(42)39-32(18-24-8-4-2-5-9-24)33(40)22-37-31-16-17-31/h2-15,19-21,23,31-33,37,40H,16-18,22H2,1H3,(H,38,41)(H,39,42)/t23-,32+,33-/m1/s1
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n/an/a 811n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) expressed in human 293T cells


Bioorg Med Chem Lett 19: 264-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.096
BindingDB Entry DOI: 10.7270/Q2ZP4606
More data for this
Ligand-Target Pair
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