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Compile Data Set for Download or QSAR

Found 24 hits of ki data for polymerid = 50006244,50006988   
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
Indoleamine 2,3-dioxygenase 2


(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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 970n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514040
PNG
(CHEMBL4436480)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCNCC4)cc3c(=O)n-21
Show InChI InChI=1S/C20H17FN4O2/c21-13-2-4-17-15(10-13)18(26)19-23-16-3-1-12(9-14(16)20(27)25(17)19)11-24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
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 1.96E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 3.50E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514041
PNG
(CHEMBL4452150)
Show SMILES CN(C)Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
Show InChI InChI=1S/C18H14FN3O2/c1-21(2)9-10-3-5-14-12(7-10)18(24)22-15-6-4-11(19)8-13(15)16(23)17(22)20-14/h3-8H,9H2,1-2H3
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 4.32E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 5.60E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514038
PNG
(CHEMBL4577825)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
Show InChI InChI=1S/C25H25FN4O4/c1-25(2,3)34-24(33)29-10-8-28(9-11-29)14-15-4-6-19-17(12-15)23(32)30-20-7-5-16(26)13-18(20)21(31)22(30)27-19/h4-7,12-13H,8-11,14H2,1-3H3
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 6.11E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514035
PNG
(CHEMBL4437046)
Show SMILES CN1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
Show InChI InChI=1S/C21H19FN4O2/c1-24-6-8-25(9-7-24)12-13-2-4-17-15(10-13)21(28)26-18-5-3-14(22)11-16(18)19(27)20(26)23-17/h2-5,10-11H,6-9,12H2,1H3
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 6.32E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibitio...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514043
PNG
(CHEMBL4545004)
Show SMILES CN1CCN(Cc2ccc3nc4C(=O)c5ccccc5-n4c(=O)c3c2)CC1
Show InChI InChI=1S/C21H20N4O2/c1-23-8-10-24(11-9-23)13-14-6-7-17-16(12-14)21(27)25-18-5-3-2-4-15(18)19(26)20(25)22-17/h2-7,12H,8-11,13H2,1H3
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 8.85E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibit...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 1.32E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence o...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 1.52E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514034
PNG
(CHEMBL4588805)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCOCC4)cc3c(=O)n-21
Show InChI InChI=1S/C20H16FN3O3/c21-13-2-4-17-15(10-13)18(25)19-22-16-3-1-12(9-14(16)20(26)24(17)19)11-23-5-7-27-8-6-23/h1-4,9-10H,5-8,11H2
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 1.75E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514037
PNG
(CHEMBL4536439)
Show SMILES CN1CCN(CC1)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
Show InChI InChI=1S/C20H17FN4O2/c1-23-6-8-24(9-7-23)13-3-4-16-14(11-13)20(27)25-17-5-2-12(21)10-15(17)18(26)19(25)22-16/h2-5,10-11H,6-9H2,1H3
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 1.99E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition c...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 2.46E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514042
PNG
(CHEMBL4578338)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(cc3c(=O)n-21)N1CCCCC1
Show InChI InChI=1S/C20H16FN3O2/c21-12-4-7-17-15(10-12)18(25)19-22-16-6-5-13(23-8-2-1-3-9-23)11-14(16)20(26)24(17)19/h4-7,10-11H,1-3,8-9H2
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 2.68E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 3.46E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of ...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514032
PNG
(CHEMBL4471831)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(cc3c(=O)n-21)N1CCNCC1
Show InChI InChI=1S/C19H15FN4O2/c20-11-1-4-16-14(9-11)17(25)18-22-15-3-2-12(23-7-5-21-6-8-23)10-13(15)19(26)24(16)18/h1-4,9-10,21H,5-8H2
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 3.69E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514039
PNG
(CHEMBL4584081)
Show SMILES O=C1c2ccccc2-n2c1nc1ccc(cc1c2=O)N1CCOCC1
Show InChI InChI=1S/C19H15N3O3/c23-17-13-3-1-2-4-16(13)22-18(17)20-15-6-5-12(11-14(15)19(22)24)21-7-9-25-10-8-21/h1-6,11H,7-10H2
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 3.91E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 3.95E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514036
PNG
(CHEMBL4468741)
Show SMILES CN(C)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
Show InChI InChI=1S/C17H12FN3O2/c1-20(2)10-4-5-13-11(8-10)17(23)21-14-6-3-9(18)7-12(14)15(22)16(21)19-13/h3-8H,1-2H3
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 4.53E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition c...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514033
PNG
(CHEMBL4471895)
Show SMILES CN1CCN(CC1)c1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
Show InChI InChI=1S/C20H18N4O2/c1-22-8-10-23(11-9-22)13-6-7-16-15(12-13)20(26)24-17-5-3-2-4-14(17)18(25)19(24)21-16/h2-7,12H,8-11H2,1H3
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 4.87E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of C-terminal His6-tagged human IDO2 (14 to 420 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition co...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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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 1.05E+5n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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
UniProtKB/SwissProt

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MCE
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UniChem

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Article
PubMed
 3.00E+5n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using ...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(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
 4.25E+5n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of vary...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50207089
PNG
(D-1-Methyltryptophan | D-1MT | Indoximod)
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-/m1/s1
UniProtKB/SwissProt

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PC cid
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PubMed
 3.30E+6n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using ...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair