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Compile Data Set for Download or QSAR

Found 1184 hits of ic50 for UniProtKB: P14902   
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 1


(Homo sapiens (Human))
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777)
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))
BDBM317549
PNG
(3-(3-(3-(2,4- difluorophenyl)ureido)-4- (diisobuty...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)C(CC(O)=O)C(F)(F)F
Show InChI InChI=1S/C25H30F5N3O3/c1-14(2)12-33(13-15(3)4)22-8-5-16(18(11-23(34)35)25(28,29)30)9-21(22)32-24(36)31-20-7-6-17(26)10-19(20)27/h5-10,14-15,18H,11-13H2,1-4H3,(H,34,35)(H2,31,32,36)
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317558
PNG
(US9624188, 49 | racemic)
Show SMILES CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)C(C)CC(O)=O
Show InChI InChI=1S/C28H39N3O3/c1-19(2)18-31(24-8-6-5-7-9-24)26-15-12-22(21(4)16-27(32)33)17-25(26)30-28(34)29-23-13-10-20(3)11-14-23/h10-15,17,19,21,24H,5-9,16,18H2,1-4H3,(H,32,33)(H2,29,30,34)
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317548
PNG
(US9624188, 13 | racemic)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(C)no1)C(C)CC(O)=O
Show InChI InChI=1S/C23H34N4O4/c1-14(2)12-27(13-15(3)4)20-8-7-18(16(5)9-22(28)29)11-19(20)24-23(30)25-21-10-17(6)26-31-21/h7-8,10-11,14-16H,9,12-13H2,1-6H3,(H,28,29)(H2,24,25,30)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340834
PNG
(US9765018, Example 287)
Show SMILES CCCC(CCC)Oc1c(Br)cc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H28BrFN6O2/c1-3-9-18(10-4-2)37-25-21(28)15-17(19-11-5-6-12-20(19)26-32-34-35-33-26)16-24(25)31-27(36)30-23-14-8-7-13-22(23)29/h5-8,11-16,18H,3-4,9-10H2,1-2H3,(H2,30,31,36)(H,32,33,34,35)
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n/an/a 4.49n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317556
PNG
((r)-3-(3-(2-(4-cyanophenyl)acetamido)-4-(diisobuty...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Cc1ccc(cc1)C#N)[C@H](C)CC(O)=O
Show InChI InChI=1S/C27H35N3O3/c1-18(2)16-30(17-19(3)4)25-11-10-23(20(5)12-27(32)33)14-24(25)29-26(31)13-21-6-8-22(15-28)9-7-21/h6-11,14,18-20H,12-13,16-17H2,1-5H3,(H,29,31)(H,32,33)/t20-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340782
PNG
(1-(5-Butyl-4-propoxy-2′-(1H-tetrazol-5-yl)-[...)
Show SMILES CCCCc1cc(cc(NC(=O)Nc2ccc(C)cc2)c1OCCC)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H32N6O2/c1-4-6-9-20-17-21(23-10-7-8-11-24(23)27-31-33-34-32-27)18-25(26(20)36-16-5-2)30-28(35)29-22-14-12-19(3)13-15-22/h7-8,10-15,17-18H,4-6,9,16H2,1-3H3,(H2,29,30,35)(H,31,32,33,34)
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n/an/a 5.92n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340833
PNG
(US9765018, Example 284)
Show SMILES CCCOc1c(C\C=C\CC)cc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29FN6O2/c1-3-5-6-11-19-17-20(21-12-7-8-13-22(21)27-32-34-35-33-27)18-25(26(19)37-16-4-2)31-28(36)30-24-15-10-9-14-23(24)29/h5-10,12-15,17-18H,3-4,11,16H2,1-2H3,(H2,30,31,36)(H,32,33,34,35)/b6-5+
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n/an/a 6.49n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317557
PNG
(3-(4-(diisobutylamino)-3-(3-(3-(trifluoromethyl)is...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cc(no1)C(F)(F)F)C(C)CC(O)=O
Show InChI InChI=1S/C23H31F3N4O4/c1-13(2)11-30(12-14(3)4)18-7-6-16(15(5)8-21(31)32)9-17(18)27-22(33)28-20-10-19(29-34-20)23(24,25)26/h6-7,9-10,13-15H,8,11-12H2,1-5H3,(H,31,32)(H2,27,28,33)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126143
PNG
(EPACADOSTAT | Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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n/an/a 7.40n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340786
PNG
((E)-1-(4-Prop oxy-2′-(1H-tetrazol-5-yl)-5-(4...)
Show SMILES CCCOc1c(C\C=C/C(F)(F)F)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H27F3N6O2/c1-3-15-39-25-19(7-6-14-28(29,30)31)16-20(22-8-4-5-9-23(22)26-34-36-37-35-26)17-24(25)33-27(38)32-21-12-10-18(2)11-13-21/h4-6,8-14,16-17H,3,7,15H2,1-2H3,(H2,32,33,38)(H,34,35,36,37)/b14-6-
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300306
PNG
(4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Br)c1
Show InChI InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50233431
PNG
(CHEMBL3979473 | US9789094, 5)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C11H13ClFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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n/an/a 11n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317550
PNG
((r)-3-(4-(diisobutylamino)-3-(3-(pyrimidin-5-yl)ur...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)[C@H](C)CC(O)=O
Show InChI InChI=1S/C23H33N5O3/c1-15(2)12-28(13-16(3)4)21-7-6-18(17(5)8-22(29)30)9-20(21)27-23(31)26-19-10-24-14-25-11-19/h6-7,9-11,14-17H,8,12-13H2,1-5H3,(H,29,30)(H2,26,27,31)/t17-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300306
PNG
(4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Br)c1
Show InChI InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 12n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry


J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50233424
PNG
(CHEMBL4076756)
Show SMILES CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C10H9BrFN5O2/c1-13-9-8(16-19-17-9)10(15-18)14-5-2-3-7(12)6(11)4-5/h2-4,18H,1H3,(H,13,17)(H,14,15)
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n/an/a 14n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50233430
PNG
(CHEMBL3955791)
Show SMILES CS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C12H14BrFN6O4S/c1-25(22,23)16-5-4-15-11-10(19-24-20-11)12(18-21)17-7-2-3-9(14)8(13)6-7/h2-3,6,16,21H,4-5H2,1H3,(H,15,20)(H,17,18)
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n/an/a 16n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317554
PNG
((s)-3-(4-(diisobutylamino)-3-(3-(p-tolyl)ureido)ph...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)[C@@H](C)CC(O)=O
Show InChI InChI=1S/C26H37N3O3/c1-17(2)15-29(16-18(3)4)24-12-9-21(20(6)13-25(30)31)14-23(24)28-26(32)27-22-10-7-19(5)8-11-22/h7-12,14,17-18,20H,13,15-16H2,1-6H3,(H,30,31)(H2,27,28,32)/t20-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300299
PNG
(4-Amino-N-(3-bromophenyl)-N'-hydroxy-1,2,5-oxadiaz...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(Br)c1
Show InChI InChI=1S/C9H8BrN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 17n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry


J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50233429
PNG
(CHEMBL4083203)
Show SMILES CC(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C13H14BrFN6O3/c1-7(22)16-4-5-17-12-11(20-24-21-12)13(19-23)18-8-2-3-10(15)9(14)6-8/h2-3,6,23H,4-5H2,1H3,(H,16,22)(H,17,21)(H,18,19)
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n/an/a 17n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry


J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300296
PNG
(4-Amino-N-(3-chlorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(Cl)c1
Show InChI InChI=1S/C9H8ClN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry


J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138819
PNG
(CHEMBL3753837)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340784
PNG
((E)-1-(5-(4,4-Difluorobuta-1,3-dien-1-yl)-4-propox...)
Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1\C=C\C=C(F)F)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H26F2N6O2/c1-3-15-38-26-19(7-6-10-25(29)30)16-20(22-8-4-5-9-23(22)27-33-35-36-34-27)17-24(26)32-28(37)31-21-13-11-18(2)12-14-21/h4-14,16-17H,3,15H2,1-2H3,(H2,31,32,37)(H,33,34,35,36)/b7-6+
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340785
PNG
(1-(4-Propoxy-2′-(1H-tetrazol-5-yl)-5-(4,4,4-...)
Show SMILES CCCOc1c(CCCC(F)(F)F)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H29F3N6O2/c1-3-15-39-25-19(7-6-14-28(29,30)31)16-20(22-8-4-5-9-23(22)26-34-36-37-35-26)17-24(25)33-27(38)32-21-12-10-18(2)11-13-21/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H2,32,33,38)(H,34,35,36,37)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340835
PNG
(US9765018, Example 288)
Show SMILES CCCCCc1cc(cc(NC(=O)Nc2ccc(C)cc2)c1OCCC)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H34N6O2/c1-4-6-7-10-21-18-22(24-11-8-9-12-25(24)28-32-34-35-33-28)19-26(27(21)37-17-5-2)31-29(36)30-23-15-13-20(3)14-16-23/h8-9,11-16,18-19H,4-7,10,17H2,1-3H3,(H2,30,31,36)(H,32,33,34,35)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340787
PNG
(3′-(3-Phenylpropyl)-4′-propoxy-5′...)
Show SMILES CCCOc1c(CCCc2ccccc2)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C33H34N2O4/c1-3-20-39-31-25(13-9-12-24-10-5-4-6-11-24)21-26(28-14-7-8-15-29(28)32(36)37)22-30(31)35-33(38)34-27-18-16-23(2)17-19-27/h4-8,10-11,14-19,21-22H,3,9,12-13,20H2,1-2H3,(H,36,37)(H2,34,35,38)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317553
PNG
((r)-3-(4-(diisobutylamino)-3-(3-(2-methylpyrimidin...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cnc(C)nc1)[C@H](C)CC(O)=O
Show InChI InChI=1S/C24H35N5O3/c1-15(2)13-29(14-16(3)4)22-8-7-19(17(5)9-23(30)31)10-21(22)28-24(32)27-20-11-25-18(6)26-12-20/h7-8,10-12,15-17H,9,13-14H2,1-6H3,(H,30,31)(H2,27,28,32)/t17-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50234040
PNG
(CHEMBL4060089 | US9765018, Example 114)
Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1
Show InChI InChI=1S/C31H27ClN2O5/c1-38-27-15-13-20(17-23(27)30(35)36)21-14-16-29(39-28-12-6-8-19-7-2-3-9-22(19)28)26(18-21)34-31(37)33-25-11-5-4-10-24(25)32/h4-6,8,10-18H,2-3,7,9H2,1H3,(H,35,36)(H2,33,34,37)
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n/an/a 22n/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 preincubated with cells followed by IFN-g...


Bioorg Med Chem Lett 27: 582-585 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.015
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50233428
PNG
(CHEMBL4072733)
Show SMILES OCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H11BrFN5O3/c12-7-5-6(1-2-8(7)13)15-11(16-20)9-10(14-3-4-19)18-21-17-9/h1-2,5,19-20H,3-4H2,(H,14,18)(H,15,16)
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n/an/a 22n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
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
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))
BDBM317551
PNG
((s)-3-(4-(diisobutylamino)-3-(3-(pyrimidin-5-yl)ur...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1cncnc1)[C@@H](C)CC(O)=O
Show InChI InChI=1S/C23H33N5O3/c1-15(2)12-28(13-16(3)4)21-7-6-18(17(5)8-22(29)30)9-20(21)27-23(31)26-19-10-24-14-25-11-19/h6-7,9-11,14-17H,8,12-13H2,1-5H3,(H,29,30)(H2,26,27,31)/t17-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9624188 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340768
PNG
(1-(5-(1-Phenylallyl)-4-propoxy-2′-(1H-tetraz...)
Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(C=C)c1ccccc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C33H32N6O2/c1-4-19-41-31-29(26(5-2)23-11-7-6-8-12-23)20-24(27-13-9-10-14-28(27)32-36-38-39-37-32)21-30(31)35-33(40)34-25-17-15-22(3)16-18-25/h5-18,20-21,26H,2,4,19H2,1,3H3,(H2,34,35,40)(H,36,37,38,39)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340769
PNG
(1-(5-(1-Phenylallyl)-4-propoxy-2′-(1H-tetraz...)
Show SMILES CCCOc1c(CCC)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H30N6O2/c1-4-8-19-16-20(22-9-6-7-10-23(22)26-30-32-33-31-26)17-24(25(19)35-15-5-2)29-27(34)28-21-13-11-18(3)12-14-21/h6-7,9-14,16-17H,4-5,8,15H2,1-3H3,(H2,28,29,34)(H,30,31,32,33)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340842
PNG
(US9765018, Example 321)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cc(cc(CC3CC3)c2OCC2CC2)-c2ccccc2-c2nnn[nH]2)cc1
Show InChI InChI=1S/C29H27F3N6O3/c30-29(31,32)41-22-11-9-21(10-12-22)33-28(39)34-25-15-19(23-3-1-2-4-24(23)27-35-37-38-36-27)14-20(13-17-5-6-17)26(25)40-16-18-7-8-18/h1-4,9-12,14-15,17-18H,5-8,13,16H2,(H2,33,34,39)(H,35,36,37,38)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340783
PNG
((E)-1-(4-Propoxy-2′-(1H-tetrazol-5-yl)-5-(4,...)
Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1\C=C\CC(F)(F)F)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H27F3N6O2/c1-3-15-39-25-19(7-6-14-28(29,30)31)16-20(22-8-4-5-9-23(22)26-34-36-37-35-26)17-24(25)33-27(38)32-21-12-10-18(2)11-13-21/h4-13,16-17H,3,14-15H2,1-2H3,(H2,32,33,38)(H,34,35,36,37)/b7-6+
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340838
PNG
(US9765018, Example 298)
Show SMILES CCCOc1c(NC(=O)Nc2ccc(C)cc2)cc(cc1C(CC)c1ccccc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C33H34N6O2/c1-4-19-41-31-29(26(5-2)23-11-7-6-8-12-23)20-24(27-13-9-10-14-28(27)32-36-38-39-37-32)21-30(31)35-33(40)34-25-17-15-22(3)16-18-25/h6-18,20-21,26H,4-5,19H2,1-3H3,(H2,34,35,40)(H,36,37,38,39)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340781
PNG
((E)-1-(5-(But-2-en-1-yl)-4-propoxy-2′-(1H-te...)
Show SMILES CCCOc1c(C\C=C\C)cc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H30N6O2/c1-4-6-9-20-17-21(23-10-7-8-11-24(23)27-31-33-34-32-27)18-25(26(20)36-16-5-2)30-28(35)29-22-14-12-19(3)13-15-22/h4,6-8,10-15,17-18H,5,9,16H2,1-3H3,(H2,29,30,35)(H,31,32,33,34)/b6-4+
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145168
PNG
(CHEMBL3764319)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-9-8-12-10-15(6-7-16(12)20)24(22,23)19-18-14-4-2-13(17)3-5-14/h2-7,10,18-19H,8-9H2,1H3
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n/an/a 35n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01640
BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50233433
PNG
(CHEMBL4085426)
Show SMILES CCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H11BrFN5O2/c1-2-14-10-9(17-20-18-10)11(16-19)15-6-3-4-8(13)7(12)5-6/h3-5,19H,2H2,1H3,(H,14,18)(H,15,16)
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n/an/a 35n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


ACS Med Chem Lett 8: 486-491 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00391
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145157
PNG
(CHEMBL3763166)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)Cc3c2)cc1
Show InChI InChI=1S/C14H12BrN3O3S/c15-10-1-3-11(4-2-10)17-18-22(20,21)12-5-6-13-9(7-12)8-14(19)16-13/h1-7,17-18H,8H2,(H,16,19)
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n/an/a 36n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01640
BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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n/an/a 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01390
BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM340840
PNG
(US9765018, Example 316)
Show SMILES FC(F)(F)CCOc1c(CC2CC2)cc(cc1NC(=O)Nc1ccc(cc1)C1CC1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H29F3N6O2/c31-30(32,33)13-14-41-27-22(15-18-5-6-18)16-21(24-3-1-2-4-25(24)28-36-38-39-37-28)17-26(27)35-29(40)34-23-11-9-20(10-12-23)19-7-8-19/h1-4,9-12,16-19H,5-8,13-15H2,(H2,34,35,40)(H,36,37,38,39)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company; Syngene International Limited; Bristol-Myers Squibb Company

US Patent


Assay Description
Human IDO1/HEK293 cells were seeded at 10,000 cells per 50 uL per well with RPMI/phenol red free media contains 10% FBS in a 384-well black wall clea...


US Patent US9765018 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046105
PNG
(CHEMBL3310843)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C14H16N2O4S2/c1-11-4-3-5-12(10-11)15-16-22(19,20)14-8-6-13(7-9-14)21(2,17)18/h3-10,15-16H,1-2H3
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n/an/a 43n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145166
PNG
(CHEMBL3763493)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN4O3S/c1-19-13-8-7-12(9-14(13)20(2)15(19)21)24(22,23)18-17-11-5-3-10(16)4-6-11/h3-9,17-18H,1-2H3
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01640
BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM80319
PNG
(MLS001171649 | N-[4-(m-toluidinosulfamoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(C)c1
Show InChI InChI=1S/C15H17N3O3S/c1-11-4-3-5-14(10-11)17-18-22(20,21)15-8-6-13(7-9-15)16-12(2)19/h3-10,17-18H,1-2H3,(H,16,19)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
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