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PubMed code 18715787

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 |r|
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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Article
PubMed
5.32E+4n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247140
PNG
(CHEMBL470328 | TX-2236 | [5-(1-Oxido-1,2,4-benzotr...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r|
Show InChI InChI=1S/C29H37N7O4/c1-29(2,3)40-28(38)33-23(18-20-19-35(4)24-14-8-6-12-21(20)24)26(37)30-16-10-5-11-17-31-27-32-22-13-7-9-15-25(22)36(39)34-27/h6-9,12-15,19,23H,5,10-11,16-18H2,1-4H3,(H,30,37)(H,33,38)(H,31,32,34)/t23-/m0/s1
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Article
PubMed
7.63E+4n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247142
PNG
(CHEMBL470329 | TX-2228 | [4-(1-Oxido-1,2,4-benzotr...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3n2)c2ccccc12 |r|
Show InChI InChI=1S/C28H35N7O4/c1-28(2,3)39-27(37)32-22(17-19-18-34(4)23-13-7-5-11-20(19)23)25(36)29-15-9-10-16-30-26-31-21-12-6-8-14-24(21)35(38)33-26/h5-8,11-14,18,22H,9-10,15-17H2,1-4H3,(H,29,36)(H,32,37)(H,30,31,33)/t22-/m0/s1
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Article
PubMed
8.71E+4n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247141
PNG
(CHEMBL443424 | TX-2235 | [5-(1,4-Dioxido-1,2,4-ben...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r|
Show InChI InChI=1S/C29H37N7O5/c1-29(2,3)41-28(38)32-22(18-20-19-34(4)23-13-7-6-12-21(20)23)26(37)30-16-10-5-11-17-31-27-33-36(40)25-15-9-8-14-24(25)35(27)39/h6-9,12-15,19,22H,5,10-11,16-18H2,1-4H3,(H,30,37)(H,31,33)(H,32,38)/t22-/m0/s1
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Article
PubMed
1.97E+5n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50247143
PNG
(CHEMBL513210 | TX-2234 | [4-(1,4-Dioxido-1,2,4-ben...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r|
Show InChI InChI=1S/C28H35N7O5/c1-28(2,3)40-27(37)31-21(17-19-18-33(4)22-12-6-5-11-20(19)22)25(36)29-15-9-10-16-30-26-32-35(39)24-14-8-7-13-23(24)34(26)38/h5-8,11-14,18,21H,9-10,15-17H2,1-4H3,(H,29,36)(H,30,32)(H,31,37)/t21-/m0/s1
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Article
PubMed
3.67E+5n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%