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Compile Data Set for Download or QSAR

Found 5825 hits Enz. Inhib. hit(s) with Target = 'Insulin'   
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-like growth factor binding protein 4


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 4


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
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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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-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256480
PNG
(CHEMBL466397 | N-(2,6-difluorophenyl)-5-(3-(2-(5-e...)
Show SMILES CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50346448
PNG
(2-(2-(((2S,6S,13S,E)-13-Amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CC\C=C\CC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C29H36N4O6/c30-24-9-3-1-2-4-10-25(29(39)31-18-21-8-6-5-7-20(21)16-27(36)37)33-26(35)17-22(32-28(24)38)15-19-11-13-23(34)14-12-19/h1-2,5-8,11-14,22,24-25,34H,3-4,9-10,15-18,30H2,(H,31,39)(H,32,38)(H,33,35)(H,36,37)/b2-1+/t22-,24-,25-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 2


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against insulin-like growth factor binding protein 2


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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2.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to insulin receptor by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
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
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50346455
PNG
(2-(2-(((2S,5S,13S,E)-13-Amino-2-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCCC\C=C\C[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C29H36N4O6/c30-23-10-4-2-1-3-5-11-24(28(38)31-18-21-9-7-6-8-20(21)17-26(35)36)32-29(39)25(33-27(23)37)16-19-12-14-22(34)15-13-19/h3,5-9,12-15,23-25,34H,1-2,4,10-11,16-18,30H2,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/b5-3+/t23-,24-,25-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 1


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against insulin-like growth factor binding protein 1


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 5


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 5


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50256478
PNG
(CHEMBL507714 | N-(2,6-difluorophenyl)-3-(3-(2-(2-m...)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C41H41F2N9O4S/c1-56-35-26-30(49-19-15-29(16-20-49)50-21-23-51(24-22-50)57(2,54)55)12-13-33(35)45-41-44-17-14-34(46-41)39-37(47-36-11-3-4-18-52(36)39)27-7-5-8-28(25-27)40(53)48-38-31(42)9-6-10-32(38)43/h3-14,17-18,25-26,29H,15-16,19-24H2,1-2H3,(H,48,53)(H,44,45,46)
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5.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to IGF1R by liquid scintillation counting


Bioorg Med Chem Lett 19: 1004-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.058
BindingDB Entry DOI: 10.7270/Q24T6J8M
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331046
PNG
(2-(2-(((5S,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 5


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)


Bioorg Med Chem Lett 13: 1931-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00322-6
BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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5.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Insulin-like growth factor binding protein 3


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 4


(Homo sapiens)
BDBM50106432
PNG
((3,4-Dihydroxy-phenyl)-(3,6,7-trihydroxy-isoquinol...)
Show SMILES Oc1ccc(cc1O)C(=O)c1[nH]c(=O)cc2cc(O)c(O)cc12
Show InChI InChI=1S/C16H11NO6/c18-10-2-1-7(3-11(10)19)16(23)15-9-6-13(21)12(20)4-8(9)5-14(22)17-15/h1-6,18-21H,(H,17,22)
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6.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 4


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Angiotensin 4 from human recombinant IRAP expressed in CHOK1 cells


Bioorg Med Chem 16: 6924-35 (2008)


Article DOI: 10.1016/j.bmc.2008.05.046
BindingDB Entry DOI: 10.7270/Q2B857XC
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 5


(Homo sapiens)
BDBM50106443
PNG
(1-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-isoquinolin...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(Cc2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-11-10-7-16(22)15(21)6-9(10)5-12(18-11)17(23)24/h1-2,4-7,19-22H,3H2,(H,23,24)
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7.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)


Bioorg Med Chem Lett 13: 1931-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00322-6
BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50106443
PNG
(1-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-isoquinolin...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(Cc2ccc(O)c(O)c2)n1
Show InChI InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-11-10-7-16(22)15(21)6-9(10)5-12(18-11)17(23)24/h1-2,4-7,19-22H,3H2,(H,23,24)
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7.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Insulin-like growth factor binding protein 3


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128459
PNG
(4-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-quinoline-2...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(O)cc2n1
Show InChI InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-9-5-12(17(23)24)18-11-7-16(22)15(21)6-10(9)11/h1-2,4-7,19-22H,3H2,(H,23,24)
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8n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 3 (IGFBP-3)


Bioorg Med Chem Lett 13: 1931-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00322-6
BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128442
PNG
(1-[4-(3,5-Dichloro-phenoxy)-3-fluoro-benzoyl]-6,7-...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H12Cl2FNO6/c24-12-6-13(25)8-14(7-12)33-20-2-1-10(3-16(20)26)22(30)21-15-9-19(29)18(28)5-11(15)4-17(27-21)23(31)32/h1-9,28-29H,(H,31,32)
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331035
PNG
((S)-2-((S)-1-((S)-2-((2S,3S)-2-((S)-2-amino-3-meth...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C31H45N7O6/c1-5-19(4)26(37-28(40)25(32)18(2)3)29(41)35-22(15-21-16-33-17-34-21)30(42)38-13-9-12-24(38)27(39)36-23(31(43)44)14-20-10-7-6-8-11-20/h6-8,10-11,16-19,22-26H,5,9,12-15,32H2,1-4H3,(H,33,34)(H,35,41)(H,36,39)(H,37,40)(H,43,44)/t19-,22-,23-,24-,25-,26-/m0/s1
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9.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128432
PNG
(1-(3-Fluoro-4-p-tolyloxy-benzoyl)-6,7-dihydroxy-is...)
Show SMILES Cc1ccc(Oc2ccc(cc2F)C(=O)c2nc(cc3cc(O)c(O)cc23)C(O)=O)cc1
Show InChI InChI=1S/C24H16FNO6/c1-12-2-5-15(6-3-12)32-21-7-4-13(8-17(21)25)23(29)22-16-11-20(28)19(27)10-14(16)9-18(26-22)24(30)31/h2-11,27-28H,1H3,(H,30,31)
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9.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331046
PNG
(2-(2-(((5S,9S,12S)-12-amino-9-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@H]1CCSSCC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C27H34N4O6S2/c28-22-9-11-38-39-12-10-23(27(37)29-16-19-4-2-1-3-18(19)14-25(34)35)31-24(33)15-20(30-26(22)36)13-17-5-7-21(32)8-6-17/h1-8,20,22-23,32H,9-16,28H2,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t20-,22-,23-/m0/s1
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10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128452
PNG
(6,7-Dihydroxy-1-[hydroxy-(2,4,6-trimethyl-phenyl)-...)
Show SMILES Cc1cc(C)c(C(O)c2nc(cc3cc(O)c(O)cc23)C(O)=O)c(C)c1
Show InChI InChI=1S/C20H19NO5/c1-9-4-10(2)17(11(3)5-9)19(24)18-13-8-16(23)15(22)7-12(13)6-14(21-18)20(25)26/h4-8,19,22-24H,1-3H3,(H,25,26)
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128450
PNG
(1-[4-(3-Chloro-phenoxy)-3-fluoro-benzoyl]-6,7-dihy...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(Oc2cccc(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H13ClFNO6/c24-13-2-1-3-14(9-13)32-20-5-4-11(6-16(20)25)22(29)21-15-10-19(28)18(27)8-12(15)7-17(26-21)23(30)31/h1-10,27-28H,(H,30,31)
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128451
PNG
(1-[4-(3,4-Dichloro-phenoxy)-3-fluoro-benzoyl]-6,7-...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1
Show InChI InChI=1S/C23H12Cl2FNO6/c24-14-3-2-12(8-15(14)25)33-20-4-1-10(5-16(20)26)22(30)21-13-9-19(29)18(28)7-11(13)6-17(27-21)23(31)32/h1-9,28-29H,(H,31,32)
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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50106446
PNG
(6,7-Dihydroxy-1-(naphthalene-2-carbonyl)-isoquinol...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H13NO5/c23-17-9-14-8-16(21(26)27)22-19(15(14)10-18(17)24)20(25)13-6-5-11-3-1-2-4-12(11)7-13/h1-10,23-24H,(H,26,27)
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Insulin-like growth factor binding protein 3


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 5


(Homo sapiens)
BDBM50128459
PNG
(4-(3,4-Dihydroxy-benzyl)-6,7-dihydroxy-quinoline-2...)
Show SMILES OC(=O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(O)cc2n1
Show InChI InChI=1S/C17H13NO6/c19-13-2-1-8(4-14(13)20)3-9-5-12(17(23)24)18-11-7-16(22)15(21)6-10(9)11/h1-2,4-7,19-22H,3H2,(H,23,24)
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability of compound to displace Insulin-Like Growth Factor (IGF-I) from its binding to Insulin-like growth factor binding protein 5 (IGFBP-5)


Bioorg Med Chem Lett 13: 1931-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00322-6
BindingDB Entry DOI: 10.7270/Q2XD1138
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 2


(Homo sapiens)
BDBM50106432
PNG
((3,4-Dihydroxy-phenyl)-(3,6,7-trihydroxy-isoquinol...)
Show SMILES Oc1ccc(cc1O)C(=O)c1[nH]c(=O)cc2cc(O)c(O)cc12
Show InChI InChI=1S/C16H11NO6/c18-10-2-1-7(3-11(10)19)16(23)15-9-6-13(21)12(20)4-8(9)5-14(22)17-15/h1-6,18-21H,(H,17,22)
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17n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against insulin-like growth factor binding protein 2


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128430
PNG
(6,7-Dihydroxy-1-[hydroxy-(4-trifluoromethyl-phenyl...)
Show SMILES OC(c1ccc(cc1)C(F)(F)F)c1nc(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C18H12F3NO5/c19-18(20,21)10-3-1-8(2-4-10)16(25)15-11-7-14(24)13(23)6-9(11)5-12(22-15)17(26)27/h1-7,16,23-25H,(H,26,27)
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331044
PNG
((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1
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19n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50383168
PNG
(CHEMBL2032015)
Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
Show InChI InChI=1S/C31H24N6O4/c1-36-29(24-10-6-7-16-32-24)28(31(39)37(36)20-8-4-3-5-9-20)30(38)35-27-14-12-22(19-34-27)41-26-15-17-33-25-18-21(40-2)11-13-23(25)26/h3-19H,1-2H3,(H,34,35,38)
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19n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by HTRF assay


J Med Chem 55: 1868-97 (2012)


Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C
More data for this
Ligand-Target Pair
Cystinyl aminopeptidase


(Rattus norvegicus)
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of leucine aminopeptidase


J Med Chem 32: 1378-92 (1989)


Article DOI: 10.1021/jm00126a039
BindingDB Entry DOI: 10.7270/Q20G3KQ1
More data for this
Ligand-Target Pair
Cystinyl aminopeptidase


(Rattus norvegicus)
BDBM50017478
PNG
(Amastatin | CHEMBL28650 | Leu[1psi,CHOHCONH]ValVal...)
Show SMILES CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of aminopeptidase M or membrane leucine aminopeptidase


J Med Chem 32: 1378-92 (1989)


Article DOI: 10.1021/jm00126a039
BindingDB Entry DOI: 10.7270/Q20G3KQ1
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331048
PNG
(CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...)
Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
Show InChI InChI=1S/C23H20N2O5/c1-3-29-23(28)21-20(15-10-14-6-4-5-7-18(14)24-12-15)17-9-8-16(27)11-19(17)30-22(21)25-13(2)26/h4-12,20,27H,3H2,1-2H3,(H,25,26)
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20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331048
PNG
(CHEMBL1277437 | ethyl 2-acetamido-7-hydroxy-4-(qui...)
Show SMILES CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2C1c1cnc2ccccc2c1
Show InChI InChI=1S/C23H20N2O5/c1-3-29-23(28)21-20(15-10-14-6-4-5-7-18(14)24-12-15)17-9-8-16(27)11-19(17)30-22(21)25-13(2)26/h4-12,20,27H,3H2,1-2H3,(H,25,26)
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20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128454
PNG
(1-[4-(4-Chloro-phenoxy)-3-fluoro-benzoyl]-6,7-dihy...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C23H13ClFNO6/c24-13-2-4-14(5-3-13)32-20-6-1-11(7-16(20)25)22(29)21-15-10-19(28)18(27)9-12(15)8-17(26-21)23(30)31/h1-10,27-28H,(H,30,31)
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20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 5


(Homo sapiens)
BDBM50106432
PNG
((3,4-Dihydroxy-phenyl)-(3,6,7-trihydroxy-isoquinol...)
Show SMILES Oc1ccc(cc1O)C(=O)c1[nH]c(=O)cc2cc(O)c(O)cc12
Show InChI InChI=1S/C16H11NO6/c18-10-2-1-7(3-11(10)19)16(23)15-9-6-13(21)12(20)4-8(9)5-14(22)17-15/h1-6,18-21H,(H,17,22)
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21n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 5


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
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
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331038
PNG
(2-(2-(((5R,8S,11R)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21-,22+/m1/s1
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23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of human recombinant IRAP expressed in HEK293 cells


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
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
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331044
PNG
((4R,8S,11S)-11-amino-N-benzyl-8-(4-hydroxybenzyl)-...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H30N4O4S2/c25-20-10-11-33-34-15-21(24(32)26-14-17-4-2-1-3-5-17)28-22(30)13-18(27-23(20)31)12-16-6-8-19(29)9-7-16/h1-9,18,20-21,29H,10-15,25H2,(H,26,32)(H,27,31)(H,28,30)/t18-,20-,21-/m0/s1
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23n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 6


(Homo sapiens)
BDBM50106431
PNG
(1-(3,4-Dihydroxy-benzoyl)-6,7-dihydroxy-isoquinoli...)
Show SMILES OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Insulin-like growth factor binding protein 6


J Med Chem 44: 4001-10 (2001)


Article DOI: 10.1021/jm010304b
BindingDB Entry DOI: 10.7270/Q2F18Z12
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128433
PNG
(1-[(3-Fluoro-phenyl)-hydroxy-methyl]-6,7-dihydroxy...)
Show SMILES OC(c1cccc(F)c1)c1nc(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C17H12FNO5/c18-10-3-1-2-8(4-10)16(22)15-11-7-14(21)13(20)6-9(11)5-12(19-15)17(23)24/h1-7,16,20-22H,(H,23,24)
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Insulin-like growth factor binding protein 3


(Homo sapiens)
BDBM50128438
PNG
(1-[(2-Chloro-phenyl)-hydroxy-methyl]-6,7-dihydroxy...)
Show SMILES OC(c1ccccc1Cl)c1nc(cc2cc(O)c(O)cc12)C(O)=O
Show InChI InChI=1S/C17H12ClNO5/c18-11-4-2-1-3-9(11)16(22)15-10-7-14(21)13(20)6-8(10)5-12(19-15)17(23)24/h1-7,16,20-22H,(H,23,24)
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25n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Ability to displace Insulin-Like Growth Factor (IGF-I) from its binding to human insulin-like growth factor binding protein 3 (hIGFBP-3)


Bioorg Med Chem Lett 13: 1927-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00321-4
BindingDB Entry DOI: 10.7270/Q2251HK5
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50346461
PNG
(2-(2-(((2S,5S,13S)-13-amino-2-(4-hydroxybenzyl)-3,...)
Show SMILES N[C@H]1CCCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C29H38N4O6/c30-23-10-4-2-1-3-5-11-24(28(38)31-18-21-9-7-6-8-20(21)17-26(35)36)32-29(39)25(33-27(23)37)16-19-12-14-22(34)15-13-19/h6-9,12-15,23-25,34H,1-5,10-11,16-18,30H2,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t23-,24-,25-/m0/s1
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25n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of catalytic activity of recombinant human IRAP transfected in human HEK-293 cells assessed as clevage of substrate L-leucine-p-nitroanili...


J Med Chem 54: 3779-92 (2011)


Article DOI: 10.1021/jm200036n
BindingDB Entry DOI: 10.7270/Q2348KPZ
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens)
BDBM50331038
PNG
(2-(2-(((5R,8S,11R)-11-amino-8-(4-hydroxybenzyl)-7,...)
Show SMILES N[C@@H]1CCSSCC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
Show InChI InChI=1S/C26H32N4O6S2/c27-20-9-11-37-38-12-10-21(25(35)28-15-18-4-2-1-3-17(18)14-23(32)33)29-26(36)22(30-24(20)34)13-16-5-7-19(31)8-6-16/h1-8,20-22,31H,9-15,27H2,(H,28,35)(H,29,36)(H,30,34)(H,32,33)/t20-,21-,22+/m1/s1
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25n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]AL-11 from human IRAP expressed in CHO-K1 cells after 30 mins by liquid scintillation counting in presence of 30 mM EDTA/600 uM 1...


J Med Chem 53: 8059-71 (2010)


Article DOI: 10.1021/jm100793t
BindingDB Entry DOI: 10.7270/Q23B60C6
More data for this
Ligand-Target Pair
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