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PubMed code 21269836

Compile data set for download or QSAR
Found 27 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))
BDBM50013811
PNG
(9H-beta-Carboline | 9H-pyrido[3,4-b]indole | CHEMB...)
Show SMILES c1ccc2c(c1)[nH]c1cnccc21
Show InChI InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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PubMed
120n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24813
PNG
(Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...)
Show SMILES CSC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
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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PubMed
3.70E+4n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336444
PNG
(2-Pyridin-3-yl-1-(5-trifluoromethoxy-1H-indol-2-yl...)
Show SMILES FC(F)(F)Oc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)23-12-3-4-13-11(7-12)8-14(21-13)15(22)6-10-2-1-5-20-9-10/h1-5,7-9,21H,6H2
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336440
PNG
(1-(5-Bromo-1H-indol-2-yl)-2-pyridin-3-yl-ethanone ...)
Show SMILES Brc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H11BrN2O/c16-12-3-4-13-11(7-12)8-14(18-13)15(19)6-10-2-1-5-17-9-10/h1-5,7-9,18H,6H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336439
PNG
(1-(5-Chloro-1H-indol-2-yl)-2-pyridin-3-yl-ethanone...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H11ClN2O/c16-12-3-4-13-11(7-12)8-14(18-13)15(19)6-10-2-1-5-17-9-10/h1-5,7-9,18H,6H2
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n/an/a 2.46E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336453
PNG
(1-(1H-Indol-2-yl)-2-pyrazin-2-yl-ethanone | CHEMBL...)
Show SMILES O=C(Cc1cnccn1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C14H11N3O/c18-14(8-11-9-15-5-6-16-11)13-7-10-3-1-2-4-12(10)17-13/h1-7,9,17H,8H2
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n/an/a 2.62E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336454
PNG
(1-(1H-Indol-2-yl)-2-phenylethanone | CHEMBL1667871)
Show SMILES O=C(Cc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H13NO/c18-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)17-15/h1-9,11,17H,10H2
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336456
PNG
(1-(1-Methyl-1H-indol-2-yl)-2-pyridin-3-yl-ethanone...)
Show SMILES Cn1c(cc2ccccc12)C(=O)Cc1cccnc1
Show InChI InChI=1S/C16H14N2O/c1-18-14-7-3-2-6-13(14)10-15(18)16(19)9-12-5-4-8-17-11-12/h2-8,10-11H,9H2,1H3
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336438
PNG
(1-(5-Fluoro-1H-indol-2-yl)-2-pyridin-3-yl-ethanone...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H11FN2O/c16-12-3-4-13-11(7-12)8-14(18-13)15(19)6-10-2-1-5-17-9-10/h1-5,7-9,18H,6H2
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336452
PNG
(1-(1H-Indol-2-yl)-2-pyridin-2-yl-ethanone | CHEMBL...)
Show SMILES O=C(Cc1ccccn1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N2O/c18-15(10-12-6-3-4-8-16-12)14-9-11-5-1-2-7-13(11)17-14/h1-9,17H,10H2
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336445
PNG
(1-(5-Hydroxy-1H-indol-2-yl)-2-pyridin-3-yl-ethanon...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H12N2O2/c18-12-3-4-13-11(7-12)8-14(17-13)15(19)6-10-2-1-5-16-9-10/h1-5,7-9,17-18H,6H2
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336446
PNG
(1-(6-Fluoro-1H-indol-2-yl)-2-pyridin-3-yl-ethanone...)
Show SMILES Fc1ccc2cc([nH]c2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H11FN2O/c16-12-4-3-11-7-14(18-13(11)8-12)15(19)6-10-2-1-5-17-9-10/h1-5,7-9,18H,6H2
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336450
PNG
(1-(4,6-Dimethoxy-1H-indol-2-yl)-2-pyridin-3-yl-eth...)
Show SMILES COc1cc(OC)c2cc([nH]c2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C17H16N2O3/c1-21-12-7-14-13(17(8-12)22-2)9-15(19-14)16(20)6-11-4-3-5-18-10-11/h3-5,7-10,19H,6H2,1-2H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336442
PNG
(1-(5-Methoxy-1H-indol-2-yl)-2-pyridin-3-yl-ethanon...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C16H14N2O2/c1-20-13-4-5-14-12(8-13)9-15(18-14)16(19)7-11-3-2-6-17-10-11/h2-6,8-10,18H,7H2,1H3
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336436
PNG
(1-(4-Methoxy-1H-indol-2-yl)-2-pyridin-3-yl-ethanon...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)Cc1cccnc1
Show InChI InChI=1S/C16H14N2O2/c1-20-16-6-2-5-13-12(16)9-14(18-13)15(19)8-11-4-3-7-17-10-11/h2-7,9-10,18H,8H2,1H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336448
PNG
(1-(4-Hydroxy-5-methoxy-1H-indol-2-yl)-2-pyridin-3-...)
Show SMILES COc1ccc2[nH]c(cc2c1O)C(=O)Cc1cccnc1
Show InChI InChI=1S/C16H14N2O3/c1-21-15-5-4-12-11(16(15)20)8-13(18-12)14(19)7-10-3-2-6-17-9-10/h2-6,8-9,18,20H,7H2,1H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336434
PNG
(1-(1H-Indol-2-yl)-2-pyridin-3-yl-ethanone | CHEMBL...)
Show SMILES O=C(Cc1cccnc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N2O/c18-15(8-11-4-3-7-16-10-11)14-9-12-5-1-2-6-13(12)17-14/h1-7,9-10,17H,8H2
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336447
PNG
(1-(7-methoxy-1H-indol-2-yl)-2-pyridin-3-yl-ethanon...)
Show SMILES COc1cccc2cc([nH]c12)C(=O)Cc1cccnc1
Show InChI InChI=1S/C16H14N2O2/c1-20-15-6-2-5-12-9-13(18-16(12)15)14(19)8-11-4-3-7-17-10-11/h2-7,9-10,18H,8H2,1H3
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n/an/a 8.20E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336437
PNG
(1-(4-Hydroxy-1H-indol-2-yl)-2-pyridin-3-yl-ethanon...)
Show SMILES Oc1cccc2[nH]c(cc12)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H12N2O2/c18-14-5-1-4-12-11(14)8-13(17-12)15(19)7-10-3-2-6-16-9-10/h1-6,8-9,17-18H,7H2
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336441
PNG
(1-(5-Methyl-1H-indol-2-yl)-2-pyridin-3-yl-ethanone...)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C16H14N2O/c1-11-4-5-14-13(7-11)9-15(18-14)16(19)8-12-3-2-6-17-10-12/h2-7,9-10,18H,8H2,1H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336455
PNG
(1H-Indole-2-carboxylic acid pyridin-3-ylamide | CH...)
Show SMILES O=C(Nc1cccnc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C14H11N3O/c18-14(16-11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)17-13/h1-9,17H,(H,16,18)
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n/an/a 9.40E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336443
PNG
(1-(5-Phenyl-1H-indol-2-yl)-2-pyridin-3-ylethanone ...)
Show SMILES O=C(Cc1cccnc1)c1cc2cc(ccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O/c24-21(11-15-5-4-10-22-14-15)20-13-18-12-17(8-9-19(18)23-20)16-6-2-1-3-7-16/h1-10,12-14,23H,11H2
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n/an/a 9.60E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
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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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336449
PNG
(1-(4,6-Dichloro-1H-indol-2-yl)-2-pyridin-3-yl-etha...)
Show SMILES Clc1cc(Cl)c2cc([nH]c2c1)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H10Cl2N2O/c16-10-5-12(17)11-7-14(19-13(11)6-10)15(20)4-9-2-1-3-18-8-9/h1-3,5-8,19H,4H2
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n/an/a 1.39E+5n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336451
PNG
(1-(1H-Indol-2-yl)-2-pyridin-3-yl-propan-1-one | CH...)
Show SMILES CC(C(=O)c1cc2ccccc2[nH]1)c1cccnc1
Show InChI InChI=1S/C16H14N2O/c1-11(13-6-4-8-17-10-13)16(19)15-9-12-5-2-3-7-14(12)18-15/h2-11,18H,1H3
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n/an/a 1.41E+5n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50336435
PNG
(1-(4-Fluoro-1H-indol-2-yl)-2-pyridin-3-yl-ethanone...)
Show SMILES Fc1cccc2[nH]c(cc12)C(=O)Cc1cccnc1
Show InChI InChI=1S/C15H11FN2O/c16-12-4-1-5-13-11(12)8-14(18-13)15(19)7-10-3-2-6-17-9-10/h1-6,8-9,18H,7H2
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n/an/a 1.53E+5n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human IDO activity by spectrophotometry


Bioorg Med Chem 19: 1550-61 (2011)


Article DOI: 10.1016/j.bmc.2010.12.032
BindingDB Entry DOI: 10.7270/Q27M087F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%