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PubMed code 23218716

Compile data set for download or QSAR
Found 20 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))
BDBM21975
PNG
((4S)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetra...)
Show SMILES CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:22|
Show InChI InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m0/s1
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PubMed
210n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin)


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428658
PNG
(MITOMYCIN | Mitomycin C | Mitosol | Mitozytrex | M...)
Show SMILES CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O |r,c:10,t:22|
Show InChI InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of hexahistidyl-tagged human IDO1


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428674
PNG
(CHEMBL576950)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C1=NCCc3c[nH]c(c13)C2=O |t:15|
Show InChI InChI=1S/C19H15N3O2/c1-24-12-4-2-10(3-5-12)13-9-22-18-15(13)16-14-11(6-7-20-16)8-21-17(14)19(18)23/h2-5,8-9,21-22H,6-7H2,1H3
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n/an/a 900n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428673
PNG
(CHEMBL574910)
Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1ccn(c1C2=O)S(=O)(=O)c1ccc(C)cc1 |c:11|
Show InChI InChI=1S/C24H20N2O5S/c1-14-3-9-17(10-4-14)32(29,30)26-12-11-18-22(26)24(28)21-20(23(18)27)19(13-25-21)15-5-7-16(31-2)8-6-15/h3-12,19-20H,13H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428672
PNG
(CHEMBL572914)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C1=NCCc3cn(c(c13)C2=O)S(=O)(=O)c1ccc(C)cc1 |t:15|
Show InChI InChI=1S/C26H21N3O4S/c1-15-3-9-19(10-4-15)34(31,32)29-14-17-11-12-27-23-21(17)25(29)26(30)24-22(23)20(13-28-24)16-5-7-18(33-2)8-6-16/h3-10,13-14,28H,11-12H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428671
PNG
(CHEMBL574690)
Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2ccn(c2c1O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H22N2O6S/c1-15-3-9-18(10-4-15)33(30,31)26-12-11-19-21(27)13-20(24(29)23(19)26)25-14-22(28)16-5-7-17(32-2)8-6-16/h3-13,25,27,29H,14H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428670
PNG
(CHEMBL576757)
Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1c(CCN)cn(c1C2=O)S(=O)(=O)c1ccc(C)cc1 |c:11|
Show InChI InChI=1S/C26H25N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)23-22(25(21)30)20(13-28-23)16-5-7-18(34-2)8-6-16/h3-10,14,20,22H,11-13,27H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428669
PNG
(CHEMBL575549)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c3c(CCN=C23)cn1S(=O)(=O)c1ccc(C)cc1 |t:22|
Show InChI InChI=1S/C26H21N3O4S/c1-15-3-9-19(10-4-15)34(31,32)29-14-17-11-12-27-23-21(17)25(29)26(30)22-20(13-28-24(22)23)16-5-7-18(33-2)8-6-16/h3-10,13-14,28H,11-12H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428668
PNG
(CHEMBL575780)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c(CCN)cn(c1C2=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H23N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)23-22(25(21)30)20(13-28-23)16-5-7-18(34-2)8-6-16/h3-10,13-14,28H,11-12,27H2,1-2H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428666
PNG
(CHEMBL574691)
Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1c(ccn1S(=O)(=O)c1ccc(C)cc1)C2=O |c:11|
Show InChI InChI=1S/C24H20N2O5S/c1-14-3-9-17(10-4-14)32(29,30)26-12-11-18-22(26)24(28)20-19(13-25-21(20)23(18)27)15-5-7-16(31-2)8-6-15/h3-12,19-20H,13H2,1-2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428667
PNG
(CHEMBL575331)
Show SMILES COc1ccc(cc1)C1CN=C2C1C(=O)c1c(c(CCN)cn1S(=O)(=O)c1ccc(C)cc1)C2=O |c:11|
Show InChI InChI=1S/C26H25N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)22-20(13-28-23(22)25(21)30)16-5-7-18(34-2)8-6-16/h3-10,14,20,22H,11-13,27H2,1-2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428665
PNG
(CHEMBL573179)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]cc3CCN=C2c13 |t:22|
Show InChI InChI=1S/C18H13N3O2/c22-11-3-1-9(2-4-11)12-8-21-16-14(12)18(23)17-13-10(7-20-17)5-6-19-15(13)16/h1-4,7-8,20-22H,5-6H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428664
PNG
(CHEMBL576344)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]cc3CCN=C2c13 |t:23|
Show InChI InChI=1S/C19H15N3O2/c1-24-12-4-2-10(3-5-12)13-9-22-17-15(13)19(23)18-14-11(8-21-18)6-7-20-16(14)17/h2-5,8-9,21-22H,6-7H2,1H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428663
PNG
(CHEMBL574896)
Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2n(ccc2c1O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H22N2O6S/c1-15-3-9-18(10-4-15)33(30,31)26-12-11-19-23(26)21(27)13-20(24(19)29)25-14-22(28)16-5-7-17(32-2)8-6-16/h3-13,25,27,29H,14H2,1-2H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428662
PNG
(CHEMBL573014)
Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2n(cc(CCNC(=O)OC(C)(C)C)c2c1O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O8S/c1-19-6-12-23(13-7-19)43(39,40)34-18-21(14-15-32-30(38)42-31(2,3)4)27-28(34)25(35)16-24(29(27)37)33-17-26(36)20-8-10-22(41-5)11-9-20/h6-13,16,18,33,35,37H,14-15,17H2,1-5H3,(H,32,38)
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428661
PNG
(CHEMBL575568)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1c(c(CCN)cn1S(=O)(=O)c1ccc(C)cc1)C2=O
Show InChI InChI=1S/C26H23N3O5S/c1-15-3-9-19(10-4-15)35(32,33)29-14-17(11-12-27)21-24(29)26(31)22-20(13-28-23(22)25(21)30)16-5-7-18(34-2)8-6-16/h3-10,13-14,28H,11-12,27H2,1-2H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428660
PNG
(CHEMBL2332688)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1cc[nH]c1C2=O
Show InChI InChI=1S/C17H12N2O3/c1-22-10-4-2-9(3-5-10)12-8-19-15-13(12)16(20)11-6-7-18-14(11)17(15)21/h2-8,18-19H,1H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428659
PNG
(CHEMBL583951)
Show SMILES COc1ccc(cc1)-c1c[nH]c2c1C(=O)c1[nH]ccc1C2=O
Show InChI InChI=1S/C17H12N2O3/c1-22-10-4-2-9(3-5-10)12-8-19-15-13(12)17(21)14-11(16(15)20)6-7-18-14/h2-8,18-19H,1H3
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n/an/a 2.24E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50428657
PNG
(CHEMBL573203)
Show SMILES COc1ccc(cc1)C(=O)CNc1cc(O)c2c(CCNC(=O)OC(C)(C)C)cn(c2c1O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O8S/c1-19-6-12-23(13-7-19)43(39,40)34-18-21(14-15-32-30(38)42-31(2,3)4)27-25(35)16-24(29(37)28(27)34)33-17-26(36)20-8-10-22(41-5)11-9-20/h6-13,16,18,33,35,37H,14-15,17H2,1-5H3,(H,32,38)
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n/an/a 2.69E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
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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Article
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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 recombinant IDO1 using L-Trp as substrate assessed as kynurenine level after 30 mins


Bioorg Med Chem Lett 23: 47-54 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.036
BindingDB Entry DOI: 10.7270/Q2JM2C03
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%