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Patent code US10988487

Compile Data Set for Download or QSAR

Found 242 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))		BDBM50529367
PNG
(CHEMBL4434951 | US10988487, Example 12)
Show SMILES Nc1nonc1\C(NC1c2ccccc2C1(F)F)=N\O
Show InChI InChI=1S/C11H9F2N5O2/c12-11(13)6-4-2-1-3-5(6)8(11)15-10(16-19)7-9(14)18-20-17-7/h1-4,8,19H,(H2,14,18)(H,15,16)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494622
PNG
(4-amino-N-(4-chloro-2,3- dihydro-1H-inden-1-yl)-N'...)
Show SMILES Nc1nonc1\C(NC1CCc2c1cccc2Cl)=N\O
Show InChI InChI=1S/C12H12ClN5O2/c13-8-3-1-2-7-6(8)4-5-9(7)15-12(16-19)10-11(14)18-20-17-10/h1-3,9,19H,4-5H2,(H2,14,18)(H,15,16)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494629
PNG
(4-amino-N-(4,6-difluoro-2,3- dihydro-1H-inden-1-yl...)
Show SMILES Nc1nonc1\C(NC1CCc2c1cc(F)cc2F)=N\O
Show InChI InChI=1S/C12H11F2N5O2/c13-5-3-7-6(8(14)4-5)1-2-9(7)16-12(17-20)10-11(15)19-21-18-10/h3-4,9,20H,1-2H2,(H2,15,19)(H,16,17)
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n/an/a 337n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494632
PNG
((4-amino-N-(3,3-difluoro-2,3- dihydro-1H-inden-1-y...)
Show SMILES Nc1nonc1\C(NC1CC(F)(F)c2ccccc12)=N\O
Show InChI InChI=1S/C12H11F2N5O2/c13-12(14)5-8(6-3-1-2-4-7(6)12)16-11(17-20)9-10(15)19-21-18-9/h1-4,8,20H,5H2,(H2,15,19)(H,16,17)
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n/an/a 4.67E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494635
PNG
(US10988487, Example 31)
Show SMILES CC(=O)NCCSc1nonc1\C(N[C@@H]1CCc2ccccc12)=N\O |r|
Show InChI InChI=1S/C16H19N5O3S/c1-10(22)17-8-9-25-16-14(20-24-21-16)15(19-23)18-13-7-6-11-4-2-3-5-12(11)13/h2-5,13,23H,6-9H2,1H3,(H,17,22)(H,18,19)/t13-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494639
PNG
((R)—N-(4-fluorobicyclo[4.2.0]octa-1,3,5-trien...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1SCc1cccc(=O)[nH]1 |r|
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n/an/a 85n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494651
PNG
(US10988487, Example 47)
Show SMILES OC[C@H](O)CSc1nonc1\C(N[C@@H]1CCc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H17FN4O4S/c16-9-3-1-8-2-4-12(11(8)5-9)17-14(18-23)13-15(20-24-19-13)25-7-10(22)6-21/h1,3,5,10,12,21-23H,2,4,6-7H2,(H,17,18)/t10-,12+/m0/s1
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n/an/a 94.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494671
PNG
((N-(2-((4-(N-(6,7-difluoro-2,3- dihydro-1H-inden-1...)
Show SMILES CC(=O)NCCSc1nonc1\C(NC1CCc2ccc(F)c(F)c12)=N/O
Show InChI InChI=1S/C16H17F2N5O3S/c1-8(24)19-6-7-27-16-14(22-26-23-16)15(21-25)20-11-5-3-9-2-4-10(17)13(18)12(9)11/h2,4,11,25H,3,5-7H2,1H3,(H,19,24)(H,20,21)
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n/an/a 156n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494673
PNG
((N-(2-((4-(N-(4,6-difluor-2,3- dihydro-1H-inden-1-...)
Show SMILES CC(=O)NCCSc1nonc1\C(NC1CCc2c1cc(F)cc2F)=N/O
Show InChI InChI=1S/C16H17F2N5O3S/c1-8(24)19-4-5-27-16-14(22-26-23-16)15(21-25)20-13-3-2-10-11(13)6-9(17)7-12(10)18/h6-7,13,25H,2-5H2,1H3,(H,19,24)(H,20,21)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494678
PNG
(2-((4-(N-(bicyclo[4.2.0]octa-1,3,5- trien-7-yl)-N'...)
Show SMILES NC(=O)CSc1nonc1\C(NC1Cc2ccccc12)=N\O
Show InChI InChI=1S/C13H13N5O3S/c14-10(19)6-22-13-11(17-21-18-13)12(16-20)15-9-5-7-3-1-2-4-8(7)9/h1-4,9,20H,5-6H2,(H2,14,19)(H,15,16)
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n/an/a 193n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494688
PNG
(2-((4-(N-(4- fluorobicyclo[4.2.0]octa-1(6),2,4- tr...)
Show SMILES NC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C13H12FN5O3S/c14-7-2-1-6-3-9(8(6)4-7)16-12(17-21)11-13(19-22-18-11)23-5-10(15)20/h1-2,4,9,21H,3,5H2,(H2,15,20)(H,16,17)
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n/an/a 377n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494702
PNG
(((4-(N-(6-cyano-2,3-dihydro-1H- inden-1-yl)-N''- h...)
Show SMILES NC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Show InChI InChI=1S/C15H14N6O3S/c16-6-8-1-2-9-3-4-11(10(9)5-8)18-14(19-23)13-15(21-24-20-13)25-7-12(17)22/h1-2,5,11,23H,3-4,7H2,(H2,17,22)(H,18,19)
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n/an/a 461n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494706
PNG
(2-((4-(N-(6-cyano-2,3-dihydro-1H- inden-1-yl)-N''-...)
Show SMILES CCNC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Show InChI InChI=1S/C17H18N6O3S/c1-2-19-14(24)9-27-17-15(22-26-23-17)16(21-25)20-13-6-5-11-4-3-10(8-18)7-12(11)13/h3-4,7,13,25H,2,5-6,9H2,1H3,(H,19,24)(H,20,21)
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n/an/a 149n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494733
PNG
(2-((4-(N-(6-fluoro-2,3-dihydro-1H- inden-1-yl)-N''...)
Show SMILES CC(C)NC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H21FN6O3/c1-9(2)20-14(25)8-19-16-15(23-27-24-16)17(22-26)21-13-6-4-10-3-5-11(18)7-12(10)13/h3,5,7,9,13,26H,4,6,8H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
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n/an/a 3.94E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494746
PNG
(4-(((S)-2,3- dihydroxypropyl)amino)-N-(6- fluoro-2...)
Show SMILES OC[C@@H](O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H18FN5O4/c16-9-3-1-8-2-4-12(11(8)5-9)18-15(19-24)13-14(21-25-20-13)17-6-10(23)7-22/h1,3,5,10,12,22-24H,2,4,6-7H2,(H,17,21)(H,18,19)/t10-,12?/m0/s1
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n/an/a 174n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494746
PNG
(4-(((S)-2,3- dihydroxypropyl)amino)-N-(6- fluoro-2...)
Show SMILES OC[C@@H](O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H18FN5O4/c16-9-3-1-8-2-4-12(11(8)5-9)18-15(19-24)13-14(21-25-20-13)17-6-10(23)7-22/h1,3,5,10,12,22-24H,2,4,6-7H2,(H,17,21)(H,18,19)/t10-,12?/m0/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494767
PNG
(4-((2,3-dihydroxy-2- methylpropyl)amino)-N-(2- flu...)
Show SMILES CC(O)(CO)CNc1nonc1\C(NC1Cc2c1cccc2F)=N\O
Show InChI InChI=1S/C15H18FN5O4/c1-15(23,7-22)6-17-13-12(20-25-21-13)14(19-24)18-11-5-9-8(11)3-2-4-10(9)16/h2-4,11,22-24H,5-7H2,1H3,(H,17,21)(H,18,19)
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n/an/a 839n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494768
PNG
(N-(4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-7-yl...)
Show SMILES NC(=O)NCCNc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H16FN7O3/c15-8-2-1-7-5-10(9(7)6-8)19-13(20-24)11-12(22-25-21-11)17-3-4-18-14(16)23/h1-2,6,10,24H,3-5H2,(H,17,22)(H,19,20)(H3,16,18,23)
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n/an/a 41.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494811
PNG
(N-(4-fluorobicyclo[4.2.0]octa- 1,3,5-trien-7-yl)-N...)
Show SMILES NS(=O)(=O)NC1(CNc2nonc2\C(NC2Cc3ccc(F)cc23)=N\O)CC1
Show InChI InChI=1S/C15H18FN7O4S/c16-9-2-1-8-5-11(10(8)6-9)19-14(20-24)12-13(22-27-21-12)18-7-15(3-4-15)23-28(17,25)26/h1-2,6,11,23-24H,3-5,7H2,(H,18,22)(H,19,20)(H2,17,25,26)
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n/an/a 220n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494815
PNG
(N-{2-[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,...)
Show SMILES CC(CNC(C)=O)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C16H19FN6O3/c1-8(7-18-9(2)24)19-16-14(22-26-23-16)15(21-25)20-13-5-10-3-4-11(17)6-12(10)13/h3-4,6,8,13,25H,5,7H2,1-2H3,(H,18,24)(H,19,23)(H,20,21)/t8?,13-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494844
PNG
((4-{[(4-{N-[(7S)-4- fluorobicyclo[4.2.0]octa-1,3,5...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NCc1ccc(cc1)B(O)O |r|
Show InChI InChI=1S/C18H17BFN5O4/c20-13-6-3-11-7-15(14(11)8-13)22-18(23-28)16-17(25-29-24-16)21-9-10-1-4-12(5-2-10)19(26)27/h1-6,8,15,26-28H,7,9H2,(H,21,25)(H,22,23)/t15-/m0/s1
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n/an/a 96.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494846
PNG
((S,Z)-N-(2-((4-(N-(4 fluorobicyclo[4.2.0]octa- 1(6...)
Show SMILES O\N=C(/NC1Cc2ccc(F)cc12)c1nonc1NCCNC(=O)c1cccc2CCOB(O)c12
Show InChI InChI=1S/C22H22BFN6O5/c24-14-5-4-13-10-17(16(13)11-14)27-21(28-33)19-20(30-35-29-19)25-7-8-26-22(31)15-3-1-2-12-6-9-34-23(32)18(12)15/h1-5,11,17,32-33H,6-10H2,(H,25,30)(H,26,31)(H,27,28)
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n/an/a 138n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50529362
PNG
(CHEMBL4475809 | US10988487, Example 3)
Show SMILES Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C11H10FN5O2/c12-6-2-1-5-3-8(7(5)4-6)14-11(15-18)9-10(13)17-19-16-9/h1-2,4,8,18H,3H2,(H2,13,17)(H,14,15)/t8-/m0/s1
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n/an/a 721n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50529371
PNG
(CHEMBL4522418 | US10988487, Example 5)
Show SMILES Nc1nonc1\C(N[C@@H]1Cc2ccccc12)=N\O |r|
Show InChI InChI=1S/C11H11N5O2/c12-10-9(15-18-16-10)11(14-17)13-8-5-6-3-1-2-4-7(6)8/h1-4,8,17H,5H2,(H2,12,16)(H,13,14)/t8-/m1/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494631
PNG
(4-amino-N-(6-cyano-2,3-dihydro- 1H-inden-1-yl)-N'-...)
Show SMILES Nc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Show InChI InChI=1S/C13H12N6O2/c14-6-7-1-2-8-3-4-10(9(8)5-7)16-13(17-20)11-12(15)19-21-18-11/h1-2,5,10,20H,3-4H2,(H2,15,19)(H,16,17)
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n/an/a 255n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494641
PNG
((R)—N-(2-((4-(N-(2-Chlorobicyclo[4.2.0]octa-1...)
Show SMILES CC(=O)NCCSc1nonc1\C(N[C@H]1Cc2c1cccc2Cl)=N\O |r|
Show InChI InChI=1S/C15H16ClN5O3S/c1-8(22)17-5-6-25-15-13(20-24-21-15)14(19-23)18-12-7-10-9(12)3-2-4-11(10)16/h2-4,12,23H,5-7H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1
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n/an/a 379n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494648
PNG
(US10988487, Example 44)
Show SMILES OC[C@@H](O)CSc1nonc1\C(N[C@H]1CCc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H17FN4O4S/c16-9-3-1-8-2-4-12(11(8)5-9)17-14(18-23)13-15(20-24-19-13)25-7-10(22)6-21/h1,3,5,10,12,21-23H,2,4,6-7H2,(H,17,18)/t10-,12+/m1/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494649
PNG
(US10988487, Example 45)
Show SMILES OC[C@@H](O)CSc1nonc1\C(N[C@@H]1CCc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H17FN4O4S/c16-9-3-1-8-2-4-12(11(8)5-9)17-14(18-23)13-15(20-24-19-13)25-7-10(22)6-21/h1,3,5,10,12,21-23H,2,4,6-7H2,(H,17,18)/t10-,12-/m1/s1
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n/an/a 5.46E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494655
PNG
(US10988487, Example 51)
Show SMILES OCCNC(=O)CNc1nonc1\C(N[C@@H]1CCc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C16H19FN6O4/c17-10-3-1-9-2-4-12(11(9)7-10)20-16(21-26)14-15(23-27-22-14)19-8-13(25)18-5-6-24/h1,3,7,12,24,26H,2,4-6,8H2,(H,18,25)(H,19,23)(H,20,21)/t12-/m1/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494657
PNG
(US10988487, Example 53)
Show SMILES OCCNC(=O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H17FN6O4/c16-9-2-1-8-5-11(10(8)6-9)19-15(20-25)13-14(22-26-21-13)18-7-12(24)17-3-4-23/h1-2,6,11,23,25H,3-5,7H2,(H,17,24)(H,18,22)(H,19,20)/t11-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494662
PNG
(N-(2-((4-(N-(6-chloro-2,3-dihydro- 1H-inden-1-yl)-...)
Show SMILES CC(=O)NCCSc1nonc1\C(NC1CCc2ccc(Cl)cc12)=N\O
Show InChI InChI=1S/C16H18ClN5O3S/c1-9(23)18-6-7-26-16-14(21-25-22-16)15(20-24)19-13-5-3-10-2-4-11(17)8-12(10)13/h2,4,8,13,24H,3,5-7H2,1H3,(H,18,23)(H,19,20)
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n/an/a 85.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494663
PNG
(2-((4-(N-(6-fluoro-2,3-dihydro-1H- inden-1-yl)-N''...)
Show SMILES CNC(=O)CSc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H16FN5O3S/c1-17-12(22)7-25-15-13(20-24-21-15)14(19-23)18-11-5-3-8-2-4-9(16)6-10(8)11/h2,4,6,11,23H,3,5,7H2,1H3,(H,17,22)(H,18,19)
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n/an/a 56.6n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494668
PNG
(2-((4-(N-(bicyclo[4.2.0]octa-1,3,5- trien-7-yl)-N'...)
Show SMILES CNC(=O)CSc1nonc1\C(NC1Cc2ccccc12)=N\O
Show InChI InChI=1S/C14H15N5O3S/c1-15-11(20)7-23-14-12(18-22-19-14)13(17-21)16-10-6-8-4-2-3-5-9(8)10/h2-5,10,21H,6-7H2,1H3,(H,15,20)(H,16,17)
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n/an/a 150n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494669
PNG
(2-((4-(N-(6-bromo-2,3-dihydro-1H- inden-1-yl)-N'- ...)
Show SMILES NC(=O)CSc1nonc1\C(NC1CCc2ccc(Br)cc12)=N\O
Show InChI InChI=1S/C14H14BrN5O3S/c15-8-3-1-7-2-4-10(9(7)5-8)17-13(18-22)12-14(20-23-19-12)24-6-11(16)21/h1,3,5,10,22H,2,4,6H2,(H2,16,21)(H,17,18)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494682
PNG
(N-(4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-7-yl...)
Show SMILES Cn1c(CSc2nonc2\C(NC2Cc3ccc(F)cc23)=N\O)n[nH]c1=O
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494694
PNG
(2-((4-(N-(2- fluorobicyclo[4.2.0]octa-1(6),2,4- tr...)
Show SMILES CC(C)NC(=O)CSc1nonc1\C(NC1Cc2c1cccc2F)=N\O
Show InChI InChI=1S/C16H18FN5O3S/c1-8(2)18-13(23)7-26-16-14(21-25-22-16)15(20-24)19-12-6-10-9(12)4-3-5-11(10)17/h3-5,8,12,24H,6-7H2,1-2H3,(H,18,23)(H,19,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494700
PNG
(2-((4-(N-(6-cyano-2,3-dihydro-1H- inden-1-yl)-N''-...)
Show SMILES CNC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Show InChI InChI=1S/C16H16N6O3S/c1-18-13(23)8-26-16-14(21-25-22-16)15(20-24)19-12-5-4-10-3-2-9(7-17)6-11(10)12/h2-3,6,12,24H,4-5,8H2,1H3,(H,18,23)(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494708
PNG
(2-((4-(N-(6-cyano-2,3-dihydro-1H- inden-1-yl)-N''-...)
Show SMILES CC(C)NC(=O)CSc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Show InChI InChI=1S/C18H20N6O3S/c1-10(2)20-15(25)9-28-18-16(23-27-24-18)17(22-26)21-14-6-5-12-4-3-11(8-19)7-13(12)14/h3-4,7,10,14,26H,5-6,9H2,1-2H3,(H,20,25)(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494714
PNG
(2-((4-(N-(4- fluorobicyclo[4.2.0]octa-1(6),2,4- tr...)
Show SMILES OCCNC(=O)CSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H16FN5O4S/c16-9-2-1-8-5-11(10(8)6-9)18-14(19-24)13-15(21-25-20-13)26-7-12(23)17-3-4-22/h1-2,6,11,22,24H,3-5,7H2,(H,17,23)(H,18,19)
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n/an/a 72.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494717
PNG
(N-(4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-7-1)...)
Show SMILES CS(=O)(=O)NCCSc1nonc1\C(NC1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H16FN5O4S2/c1-26(22,23)16-4-5-25-14-12(19-24-20-14)13(18-21)17-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,16,21H,4-6H2,1H3,(H,17,18)
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n/an/a 72.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494730
PNG
(N-(6-fluoro-2,3-dihydro-1H-inden- 1-yl)-N''-hydrox...)
Show SMILES Cn1c(CNc2nonc2\C(NC2CCc3ccc(F)cc23)=N\O)n[nH]c1=O
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494742
PNG
(2-((4-(N-(6-fluoro-2,3-dihydro-1H- inden-1-yl)-N''...)
Show SMILES NC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H15FN6O3/c15-8-3-1-7-2-4-10(9(7)5-8)18-14(19-23)12-13(21-24-20-12)17-6-11(16)22/h1,3,5,10,23H,2,4,6H2,(H2,16,22)(H,17,21)(H,18,19)
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n/an/a 52.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494742
PNG
(2-((4-(N-(6-fluoro-2,3-dihydro-1H- inden-1-yl)-N''...)
Show SMILES NC(=O)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H15FN6O3/c15-8-3-1-7-2-4-10(9(7)5-8)18-14(19-23)12-13(21-24-20-12)17-6-11(16)22/h1,3,5,10,23H,2,4,6H2,(H2,16,22)(H,17,21)(H,18,19)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494748
PNG
(N-(6-fluoro-2,3-dihydro-1H-inden- 1-yl)-N''-hydrox...)
Show SMILES CS(=O)(=O)NCCNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O4S/c1-27(24,25)18-7-6-17-14-13(21-26-22-14)15(20-23)19-12-5-3-9-2-4-10(16)8-11(9)12/h2,4,8,12,18,23H,3,5-7H2,1H3,(H,17,22)(H,19,20)
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n/an/a 4.36E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494751
PNG
(N-(6-fluoro-2,3-dihydro-1H-inden- 1-yl)-N'-hydroxy...)
Show SMILES CN1C[C@@H](CNc2nonc2\C(NC2CCc3ccc(F)cc23)=N\O)NC1=O |r|
Show InChI InChI=1S/C17H20FN7O3/c1-25-8-11(20-17(25)26)7-19-15-14(23-28-24-15)16(22-27)21-13-5-3-9-2-4-10(18)6-12(9)13/h2,4,6,11,13,27H,3,5,7-8H2,1H3,(H,19,24)(H,20,26)(H,21,22)/t11-,13?/m1/s1
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n/an/a 187n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494753
PNG
(2-((4-(N-(6-cyano-2,3-dihydro-1H- inden-1-yl)-N'- ...)
Show SMILES OCCNC(=O)CNc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Show InChI InChI=1S/C17H19N7O4/c18-8-10-1-2-11-3-4-13(12(11)7-10)21-17(22-27)15-16(24-28-23-15)20-9-14(26)19-5-6-25/h1-2,7,13,25,27H,3-6,9H2,(H,19,26)(H,20,24)(H,21,22)
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n/an/a 3.49E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494754
PNG
(N-(6-fluoro-2,3-dihydro-1H-inden- 1-yl)-N''-hydrox...)
Show SMILES NC(=O)NCCNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H18FN7O3/c16-9-3-1-8-2-4-11(10(8)7-9)20-14(21-25)12-13(23-26-22-12)18-5-6-19-15(17)24/h1,3,7,11,25H,2,4-6H2,(H,18,23)(H,20,21)(H3,17,19,24)
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n/an/a 65n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494757
PNG
(2-((4-(N-(6-cyano-2,3-dihydro-1H- inden-1-yl)-N'- ...)
Show SMILES CC(C)NC(=O)CNc1nonc1\C(NC1CCc2ccc(cc12)C#N)=N\O
Show InChI InChI=1S/C18H21N7O3/c1-10(2)21-15(26)9-20-17-16(24-28-25-17)18(23-27)22-14-6-5-12-4-3-11(8-19)7-13(12)14/h3-4,7,10,14,27H,5-6,9H2,1-2H3,(H,20,25)(H,21,26)(H,22,23)
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n/an/a 4.24E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494758
PNG
(N-(4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-7-yl...)
Show SMILES Cn1c(CNc2nonc2\C(NC2Cc3ccc(F)cc23)=N\O)n[nH]c1=O
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n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM494766
PNG
(4-(((S)-2-amino-3- hydroxypropyl)amino)-N-(6-fluor...)
Show SMILES N[C@H](CO)CNc1nonc1\C(NC1CCc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H19FN6O3/c16-9-3-1-8-2-4-12(11(8)5-9)19-15(20-24)13-14(22-25-21-13)18-6-10(17)7-23/h1,3,5,10,12,23-24H,2,4,6-7,17H2,(H,18,22)(H,19,20)/t10-,12?/m0/s1
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n/an/a 8.33E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
HIS-tagged IDO1 protein was recombinantly expressed in Escherichia coli using ZYP5052 autoinduction media supplemented with 500 μM delta aminole...

US Patent US10988487 (2021)


BindingDB Entry DOI: 10.7270/Q25T3PKG
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%