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Compile Data Set for Download or QSAR

Found 23 hits of ec50 data for polymerid = 4821   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50005641
PNG
(CHEMBL3235416)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(O)=O |r|
Show InChI InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1
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Article
PubMed
n/an/an/an/a 530n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Induction of human recombinant IDE-mediated insulin hydrolysis preincubated for 10 mins measured after 30 mins by spectrophotometer analysis


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


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


(Homo sapiens (Human))
BDBM50602605
PNG
(CHEMBL5195657)
Show SMILES O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1cccs1)NCCCn1ccnc1
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MCE
PC cid
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UniChem
Article
PubMed
n/an/an/an/a 5.01E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602605
PNG
(CHEMBL5195657)
Show SMILES O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1cccs1)NCCCn1ccnc1
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UniChem
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n/an/an/an/a 5.50E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602612
PNG
(CHEMBL5189585)
Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
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n/an/an/an/a 6.76E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602617
PNG
(CHEMBL5185555)
Show SMILES O=C(CCCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
PDB
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KEGG

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UniChem
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n/an/an/an/a 7.24E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602610
PNG
(CHEMBL5198743)
Show SMILES Fc1ccccc1S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
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n/an/an/an/a 7.94E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602623
PNG
(CHEMBL5203883)
Show SMILES O=C(CCCc1cc2ccccc2n1S(=O)(=O)c1ccccc1)NCCCn1ccnc1
PDB
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KEGG

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UniChem
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n/an/an/an/a 8.13E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602618
PNG
(CHEMBL5198912)
Show SMILES O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCCn1ccnc1
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UniChem
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n/an/an/an/a 8.13E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602606
PNG
(CHEMBL5201963)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)NCCCn1ccnc1
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n/an/an/an/a 1.00E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602606
PNG
(CHEMBL5201963)
Show SMILES O=C(CCCc1c[nH]c2ccccc12)NCCCn1ccnc1
PDB
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KEGG

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UniChem
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n/an/an/an/a 1.00E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602611
PNG
(CHEMBL5186397)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
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n/an/an/an/a 1.02E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602620
PNG
(CHEMBL5169861)
Show SMILES O=C(NCCCn1ccnc1)NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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n/an/an/an/a 1.02E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602624
PNG
(CHEMBL5194929)
Show SMILES O=C(CCCc1nn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
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n/an/an/an/a 1.23E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602609
PNG
(CHEMBL5179418)
Show SMILES O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
PDB
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KEGG

UniProtKB/SwissProt

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UniChem
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PubMed
n/an/an/an/a 1.32E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602613
PNG
(CHEMBL5170331)
Show SMILES O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1ccsc1)NCCCn1ccnc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/an/an/a 1.38E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602619
PNG
(CHEMBL5193447)
Show SMILES CN(CCCn1ccnc1)C(=O)CCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
PDB
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n/an/an/an/a 1.41E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602621
PNG
(CHEMBL5204606)
Show SMILES N[C@@H](Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)C(=O)NCCCn1ccnc1 |r|
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n/an/an/an/a 1.45E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602616
PNG
(CHEMBL5202559)
Show SMILES O=C(CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
PDB
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n/an/an/an/a 1.55E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602607
PNG
(CHEMBL5208860)
Show SMILES O=C(CCCc1cn(C(=O)c2cccs2)c2ccccc12)NCCCn1ccnc1
PDB
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n/an/an/an/a 2.14E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602608
PNG
(CHEMBL5191945)
Show SMILES CS(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
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n/an/an/an/a 2.69E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602615
PNG
(CHEMBL5185924)
Show SMILES O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1cccnc1)NCCCn1ccnc1
PDB
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KEGG

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UniChem
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n/an/an/an/a 2.69E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602614
PNG
(CHEMBL5204153)
Show SMILES Cn1cnc(c1)S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
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UniChem
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n/an/an/an/a 2.88E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair
Insulin-degrading enzyme


(Homo sapiens (Human))
BDBM50602622
PNG
(CHEMBL5184269)
Show SMILES O=C(CCCC1C(=O)Nc2ccccc12)NCCCn1ccnc1
PDB
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UniChem
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n/an/an/an/a 3.89E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113982
BindingDB Entry DOI: 10.7270/Q2SX6J90
More data for this
Ligand-Target Pair