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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50043561   
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))
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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54n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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161n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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389n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442993
PNG
(CHEMBL3087012)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc12 |r|
Show InChI InChI=1S/C15H11FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7,13-14,17,19H/t13-,14-/m1/s1
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4.54E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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4.81E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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5.48E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442992
PNG
(CHEMBL2314972)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccccc12 |r|
Show InChI InChI=1S/C15H12N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,13-14,16,18H/t13-,14-/m1/s1
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8.58E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442989
PNG
(CHEMBL3087010)
Show SMILES Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7ClN2O2/c16-9-5-3-7-11-12(9)13(19)14-17-10-6-2-1-4-8(10)15(20)18(11)14/h1-7H
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9.65E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
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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3.40E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of human IDO1 in presence of tryptophan


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
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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4.23E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
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4.94E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442986
PNG
(CHEMBL3087014)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(Cn4cc(nn4)-c4ccccc4)cc3c(=O)n-21
Show InChI InChI=1S/C24H14FN5O2/c25-16-7-9-21-18(11-16)22(31)23-26-19-8-6-14(10-17(19)24(32)30(21)23)12-29-13-20(27-28-29)15-4-2-1-3-5-15/h1-11,13H,12H2
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6.33E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442994
PNG
(CHEMBL312537 | US10669273, Compound 5b)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
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2.19E+5n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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n/an/a 0.0180n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 23n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442993
PNG
(CHEMBL3087012)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc12 |r|
Show InChI InChI=1S/C15H11FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7,13-14,17,19H/t13-,14-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442989
PNG
(CHEMBL3087010)
Show SMILES Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7ClN2O2/c16-9-5-3-7-11-12(9)13(19)14-17-10-6-2-1-4-8(10)15(20)18(11)14/h1-7H
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n/an/a 27n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 54n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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n/an/a 54n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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n/an/a 103n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
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n/an/a 183n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442986
PNG
(CHEMBL3087014)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(Cn4cc(nn4)-c4ccccc4)cc3c(=O)n-21
Show InChI InChI=1S/C24H14FN5O2/c25-16-7-9-21-18(11-16)22(31)23-26-19-8-6-14(10-17(19)24(32)30(21)23)12-29-13-20(27-28-29)15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 185n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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n/an/a 466n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 534n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 574n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442992
PNG
(CHEMBL2314972)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccccc12 |r|
Show InChI InChI=1S/C15H12N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,13-14,16,18H/t13-,14-/m1/s1
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n/an/a 779n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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n/an/a 2.72E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442993
PNG
(CHEMBL3087012)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc12 |r|
Show InChI InChI=1S/C15H11FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7,13-14,17,19H/t13-,14-/m1/s1
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n/an/a 6.21E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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n/an/a 7.15E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442989
PNG
(CHEMBL3087010)
Show SMILES Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7ClN2O2/c16-9-5-3-7-11-12(9)13(19)14-17-10-6-2-1-4-8(10)15(20)18(11)14/h1-7H
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n/an/a 8.19E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442992
PNG
(CHEMBL2314972)
Show SMILES O[C@H]1[C@@H]2Nc3ccccc3C(=O)N2c2ccccc12 |r|
Show InChI InChI=1S/C15H12N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8,13-14,16,18H/t13-,14-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
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 1.84E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442986
PNG
(CHEMBL3087014)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(Cn4cc(nn4)-c4ccccc4)cc3c(=O)n-21
Show InChI InChI=1S/C24H14FN5O2/c25-16-7-9-21-18(11-16)22(31)23-26-19-8-6-14(10-17(19)24(32)30(21)23)12-29-13-20(27-28-29)15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 3.91E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
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n/an/a 7.44E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442994
PNG
(CHEMBL312537 | US10669273, Compound 5b)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
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n/an/a 1.21E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
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>2.00E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO1-mediated tryptophan degradation expressed in human tumor cells


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442996
PNG
(CHEMBL3087011)
Show SMILES O[C@H]1[C@@H]2Nc3ccc(F)cc3C(=O)N2c2ccccc12 |r|
Show InChI InChI=1S/C15H11FN2O2/c16-8-5-6-11-10(7-8)15(20)18-12-4-2-1-3-9(12)13(19)14(18)17-11/h1-7,13-14,17,19H/t13-,14-/m1/s1
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n/an/a 4.51E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
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 4.99E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50442995
PNG
(CHEMBL3086870)
Show SMILES Fc1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-11-10(7-8)15(20)18-12-4-2-1-3-9(12)13(19)14(18)17-11/h1-7H
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n/an/a 8.64E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/an/a 4.68E+4n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to human IDO1 by SPR assay


J Med Chem 56: 8321-31 (2013)


Article DOI: 10.1021/jm401195n
BindingDB Entry DOI: 10.7270/Q2X34ZWS
More data for this
Ligand-Target Pair