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PubMed code 29398543

Compile data set for download or QSAR
Found 23 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))		BDBM50454785
PNG
(CHEMBL4207581)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454792
PNG
(CHEMBL4218193)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H36N6O/c1-20(2)18-36(19-21(3)4)28-15-14-24(25-8-6-7-9-26(25)30-32-34-35-33-30)17-27(28)31-29(37)16-23-12-10-22(5)11-13-23/h6-15,17,20-21H,16,18-19H2,1-5H3,(H,31,37)(H,32,33,34,35)
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454803
PNG
(CHEMBL4217909)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H35N3O3/c1-19(2)17-32(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28(33)34)16-26(27)31-29(35)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H,33,34)(H2,30,31,35)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454805
PNG
(CHEMBL4214437)
Show SMILES CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C28H31N3O3/c1-19-12-15-21(16-13-19)29-28(34)30-25-18-20(23-10-6-7-11-24(23)27(32)33)14-17-26(25)31(2)22-8-4-3-5-9-22/h6-7,10-18,22H,3-5,8-9H2,1-2H3,(H,32,33)(H2,29,30,34)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454790
PNG
(CHEMBL4209526)
Show SMILES CCN(C1CCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C28H31N3O3/c1-3-31(22-8-4-5-9-22)26-17-14-20(23-10-6-7-11-24(23)27(32)33)18-25(26)30-28(34)29-21-15-12-19(2)13-16-21/h6-7,10-18,22H,3-5,8-9H2,1-2H3,(H,32,33)(H2,29,30,34)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454789
PNG
(CHEMBL4209479)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1N1CCN(C1=O)c1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H37N7O/c1-21(2)19-36(20-22(3)4)28-15-12-24(26-8-6-7-9-27(26)30-32-34-35-33-30)18-29(28)38-17-16-37(31(38)39)25-13-10-23(5)11-14-25/h6-15,18,21-22H,16-17,19-20H2,1-5H3,(H,32,33,34,35)
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454808
PNG
(CHEMBL4209704)
Show SMILES CC(C)CN(C(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C28H33N3O3/c1-18(2)17-31(19(3)4)26-15-12-21(23-8-6-7-9-24(23)27(32)33)16-25(26)30-28(34)29-22-13-10-20(5)11-14-22/h6-16,18-19H,17H2,1-5H3,(H,32,33)(H2,29,30,34)
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n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454804
PNG
(CHEMBL4205153)
Show SMILES CCCCN(CCCC)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H35N3O3/c1-4-6-18-32(19-7-5-2)27-17-14-22(24-10-8-9-11-25(24)28(33)34)20-26(27)31-29(35)30-23-15-12-21(3)13-16-23/h8-17,20H,4-7,18-19H2,1-3H3,(H,33,34)(H2,30,31,35)
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM340558
PNG
(4′-(2-tert-Butylphenoxy)-3′-(3-p-tolyl...)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C31H30N2O4/c1-20-13-16-22(17-14-20)32-30(36)33-26-19-21(23-9-5-6-10-24(23)29(34)35)15-18-28(26)37-27-12-8-7-11-25(27)31(2,3)4/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454800
PNG
(CHEMBL4210456)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C29H35F3N4O3S/c1-19(2)17-36(18-20(3)4)27-15-12-22(16-26(27)34-28(37)33-23-13-10-21(5)11-14-23)24-8-6-7-9-25(24)35-40(38,39)29(30,31)32/h6-16,19-20,35H,17-18H2,1-5H3,(H2,33,34,37)
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n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454809
PNG
(CHEMBL4210457)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1N(C)C(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H37N7O/c1-20(2)18-37(19-21(3)4)27-16-13-23(25-9-7-8-10-26(25)29-32-34-35-33-29)17-28(27)36(6)30(38)31-24-14-11-22(5)12-15-24/h7-17,20-21H,18-19H2,1-6H3,(H,31,38)(H,32,33,34,35)
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n/an/a 97n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454811
PNG
(CHEMBL4218084)
Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCC2)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O |r|
Show InChI InChI=1S/C30H33N3O3/c1-20-12-15-23(16-13-20)31-30(36)32-26-19-22(24-9-3-4-10-25(24)29(34)35)14-17-28(26)33-18-6-8-21-7-2-5-11-27(21)33/h3-4,9-10,12-17,19,21,27H,2,5-8,11,18H2,1H3,(H,34,35)(H2,31,32,36)/t21-,27-/m0/s1
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n/an/a 159n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454802
PNG
(CHEMBL4216070)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2N(CC2CC2)CC2CC2)-c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C29H31N3O3/c1-19-6-13-23(14-7-19)30-29(35)31-26-16-22(24-4-2-3-5-25(24)28(33)34)12-15-27(26)32(17-20-8-9-20)18-21-10-11-21/h2-7,12-16,20-21H,8-11,17-18H2,1H3,(H,33,34)(H2,30,31,35)
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n/an/a 348n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454787
PNG
(CHEMBL4215596)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)N(C)c1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H37N7O/c1-20(2)18-37(19-21(3)4)28-16-13-23(25-9-7-8-10-26(25)29-32-34-35-33-29)17-27(28)31-30(38)36(6)24-14-11-22(5)12-15-24/h7-17,20-21H,18-19H2,1-6H3,(H,31,38)(H,32,33,34,35)
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n/an/a 405n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454806
PNG
(CHEMBL4214458)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2NC2CCCCC2)-c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C27H29N3O3/c1-18-11-14-21(15-12-18)29-27(33)30-25-17-19(22-9-5-6-10-23(22)26(31)32)13-16-24(25)28-20-7-3-2-4-8-20/h5-6,9-17,20,28H,2-4,7-8H2,1H3,(H,31,32)(H2,29,30,33)
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n/an/a 504n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454786
PNG
(CHEMBL4206074)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Nc2ccccc2C(C)(C)C)-c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C31H31N3O3/c1-20-13-16-22(17-14-20)32-30(37)34-28-19-21(23-9-5-6-10-24(23)29(35)36)15-18-27(28)33-26-12-8-7-11-25(26)31(2,3)4/h5-19,33H,1-4H3,(H,35,36)(H2,32,34,37)
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n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454810
PNG
(CHEMBL4213934)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C30H38N4O4S/c1-20(2)18-34(19-21(3)4)28-16-13-23(25-9-7-8-10-26(25)29(35)33-39(6,37)38)17-27(28)32-30(36)31-24-14-11-22(5)12-15-24/h7-17,20-21H,18-19H2,1-6H3,(H,33,35)(H2,31,32,36)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50234051
PNG
(CHEMBL4088631 | US9765018, Example 226)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C31H30N2O4/c1-20-12-15-24(16-13-20)32-30(36)33-26-19-22(21-8-7-9-23(18-21)29(34)35)14-17-28(26)37-27-11-6-5-10-25(27)31(2,3)4/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454807
PNG
(CHEMBL4215253)
Show SMILES CN(c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O)c1ccccc1C(C)(C)C
Show InChI InChI=1S/C32H33N3O3/c1-21-14-17-23(18-15-21)33-31(38)34-27-20-22(24-10-6-7-11-25(24)30(36)37)16-19-29(27)35(5)28-13-9-8-12-26(28)32(2,3)4/h6-20H,1-5H3,(H,36,37)(H2,33,34,38)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454788
PNG
(CHEMBL4206934)
Show SMILES COCCN(CCOC)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C27H31N3O5/c1-19-8-11-21(12-9-19)28-27(33)29-24-18-20(22-6-4-5-7-23(22)26(31)32)10-13-25(24)30(14-16-34-2)15-17-35-3/h4-13,18H,14-17H2,1-3H3,(H,31,32)(H2,28,29,33)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454791
PNG
(CHEMBL4206252)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2Oc2ccccc2C(C)(C)C)-c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C31H30N2O4/c1-20-9-16-24(17-10-20)32-30(36)33-26-19-23(21-11-13-22(14-12-21)29(34)35)15-18-28(26)37-27-8-6-5-7-25(27)31(2,3)4/h5-19H,1-4H3,(H,34,35)(H2,32,33,36)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454801
PNG
(CHEMBL4206646)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1NS(C)(=O)=O
Show InChI InChI=1S/C29H38N4O3S/c1-20(2)18-33(19-21(3)4)28-16-13-23(25-9-7-8-10-26(25)32-37(6,35)36)17-27(28)31-29(34)30-24-14-11-22(5)12-15-24/h7-17,20-21,32H,18-19H2,1-6H3,(H2,30,31,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50454812
PNG
(CHEMBL4208408)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(=O)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C30H35F3N4O4S/c1-19(2)17-37(18-20(3)4)27-15-12-22(16-26(27)35-29(39)34-23-13-10-21(5)11-14-23)24-8-6-7-9-25(24)28(38)36-42(40,41)30(31,32)33/h6-16,19-20H,17-18H2,1-5H3,(H,36,38)(H2,34,35,39)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibition of kynurenine production pre-incubated for 1 hr followed by IFN-ga...

Bioorg Med Chem Lett 28: 732-736 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.010
BindingDB Entry DOI: 10.7270/Q28K7CP4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%