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Patent code US10927086

Compile Data Set for Download or QSAR
Found 86 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM483551
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O3S/c1-26(17,24)6-2-5-18-14-13(21-25-22-14)15(20-23)19-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,17,23H,2,5-7H2,1H3,(H,18,22)(H,19,20)/t12-,26?/m0/s1
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n/an/a 31.2n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483621
PNG
(N- [(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7...)
Show SMILES CS(=N)(=O)N1CC2(CC(C2)Nc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C18H22FN7O3S/c1-30(20,28)26-8-18(9-26)6-12(7-18)21-17-15(24-29-25-17)16(23-27)22-14-4-10-2-3-11(19)5-13(10)14/h2-3,5,12,14,20,27H,4,6-9H2,1H3,(H,21,25)(H,22,23)/t14-,30?/m1/s1
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n/an/a 34.1n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483551
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O3S/c1-26(17,24)6-2-5-18-14-13(21-25-22-14)15(20-23)19-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,17,23H,2,5-7H2,1H3,(H,18,22)(H,19,20)/t12-,26?/m0/s1
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n/an/a 35.4n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483539
PNG
(US10927086, Example 11)
Show SMILES CS(=N)(=O)NCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H18FN7O3S/c1-26(16,24)18-5-4-17-13-12(21-25-22-13)14(20-23)19-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,23H,4-6H2,1H3,(H,17,22)(H,19,20)(H2,16,18,24)/t11-,26?/m0/s1
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n/an/a 38.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483621
PNG
(N- [(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7...)
Show SMILES CS(=N)(=O)N1CC2(CC(C2)Nc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C18H22FN7O3S/c1-30(20,28)26-8-18(9-26)6-12(7-18)21-17-15(24-29-25-17)16(23-27)22-14-4-10-2-3-11(19)5-13(10)14/h2-3,5,12,14,20,27H,4,6-9H2,1H3,(H,21,25)(H,22,23)/t14-,30?/m1/s1
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n/an/a 40n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483553
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O4S/c1-27(17,25)7-10(23)6-18-14-13(21-26-22-14)15(20-24)19-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,17,23-24H,4,6-7H2,1H3,(H,18,22)(H,19,20)/t10?,12-,27?/m0/s1
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n/an/a 43.3n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483538
PNG
(US10927086, Example 8)
Show SMILES OCC[S@](=N)(=O)CCNc1nonc1C(N[C@H]1Cc2ccc(F)cc12)=NO
Show InChI InChI=1S/C15H19FN6O4S/c16-10-2-1-9-7-12(11(9)8-10)19-15(20-24)13-14(22-26-21-13)18-3-5-27(17,25)6-4-23/h1-2,8,12,17,23-24H,3-7H2,(H,18,22)(H,19,20)/t12-,27+/m0/s1
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n/an/a 43.5n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483635
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7...)
Show SMILES CON=[S@](C)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O4S/c1-25-22-27(2,24)6-5-17-14-13(20-26-21-14)15(19-23)18-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,23H,5-7H2,1-2H3,(H,17,21)(H,18,19)/t12-,27+/m0/s1
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n/an/a 44.9n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483629
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CC(O)CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-9(24)8-28(18,26)5-4-19-15-14(22-27-23-15)16(21-25)20-13-6-10-2-3-11(17)7-12(10)13/h2-3,7,9,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t9?,13-,28?/m1/s1
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n/an/a 46.1n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483565
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H21FN6O3S/c1-27(18,25)7-3-2-6-19-15-14(22-26-23-15)16(21-24)20-13-8-10-4-5-11(17)9-12(10)13/h4-5,9,13,18,24H,2-3,6-8H2,1H3,(H,19,23)(H,20,21)/t13-,27?/m0/s1
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n/an/a 47.1n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483640
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7...)
Show SMILES CON=[S@@](C)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O4S/c1-25-22-27(2,24)6-5-17-14-13(20-26-21-14)15(19-23)18-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,23H,5-7H2,1-2H3,(H,17,21)(H,18,19)/t12-,27-/m0/s1
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n/an/a 47.2n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483629
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CC(O)CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-9(24)8-28(18,26)5-4-19-15-14(22-27-23-15)16(21-25)20-13-6-10-2-3-11(17)7-12(10)13/h2-3,7,9,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t9?,13-,28?/m1/s1
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n/an/a 47.4n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483610
PNG
(4-{[3-(S- aminosulfonimidoyl)propyl]amino}-N- [(7S...)
Show SMILES NS(=N)(=O)CCCNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C14H18FN7O3S/c15-9-3-2-8-6-11(10(8)7-9)19-14(20-23)12-13(22-25-21-12)18-4-1-5-26(16,17)24/h2-3,7,11,23H,1,4-6H2,(H,18,22)(H,19,20)(H3,16,17,24)/t11-/m1/s1
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n/an/a 48.2n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483540
PNG
(2-((4-(N-((S)-4- fluorobicyclo[4.2.0]octa-1(6),2,4...)
Show SMILES CS(=N)(=O)CCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN7O4S/c1-29(18,27)5-4-19-13(25)8-20-15-14(23-28-24-15)16(22-26)21-12-6-9-2-3-10(17)7-11(9)12/h2-3,7,12,18,26H,4-6,8H2,1H3,(H,19,25)(H,20,24)(H,21,22)/t12-,29?/m0/s1
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n/an/a 49.3n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483629
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CC(O)CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-9(24)8-28(18,26)5-4-19-15-14(22-27-23-15)16(21-25)20-13-6-10-2-3-11(17)7-12(10)13/h2-3,7,9,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t9?,13-,28?/m1/s1
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n/an/a 49.5n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483617
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES C[S@](=N)(=O)C1C[C@@H](C1)Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H19FN6O3S/c1-27(18,25)11-6-10(7-11)19-16-14(22-26-23-16)15(21-24)20-13-4-8-2-3-9(17)5-12(8)13/h2-3,5,10-11,13,18,24H,4,6-7H2,1H3,(H,19,23)(H,20,21)/t10-,11?,13-,27+/m1/s1
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n/an/a 49.5n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483565
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H21FN6O3S/c1-27(18,25)7-3-2-6-19-15-14(22-26-23-15)16(21-24)20-13-8-10-4-5-11(17)9-12(10)13/h4-5,9,13,18,24H,2-3,6-8H2,1H3,(H,19,23)(H,20,21)/t13-,27?/m0/s1
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n/an/a 50.8n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483638
PNG
(N—((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-tr...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NC[C@H]1C[S@](=N)(=O)C1
Show InChI InChI=1S/C15H17FN6O3S/c16-10-2-1-9-3-12(11(9)4-10)19-15(20-23)13-14(22-25-21-13)18-5-8-6-26(17,24)7-8/h1-2,4,8,12,17,23H,3,5-7H2,(H,18,22)(H,19,20)/t8-,12-,26-/m0/s1
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n/an/a 51n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483553
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O4S/c1-27(17,25)7-10(23)6-18-14-13(21-26-22-14)15(20-24)19-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,17,23-24H,4,6-7H2,1H3,(H,18,22)(H,19,20)/t10?,12-,27?/m0/s1
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n/an/a 53.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483544
PNG
(4-((2-(N-carbamoyl-S- methylsulfonimidoyl)ethyl)am...)
Show SMILES CS(=O)(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)=NC(N)=O
Show InChI InChI=1S/C15H18FN7O4S/c1-28(26,23-15(17)24)5-4-18-13-12(21-27-22-13)14(20-25)19-11-6-8-2-3-9(16)7-10(8)11/h2-3,7,11,25H,4-6H2,1H3,(H2,17,24)(H,18,22)(H,19,20)/t11-,28?/m0/s1
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n/an/a 55.1n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483569
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H17FN6O4S/c1-27(17,24)22-6-10(7-22)25-15-13(20-26-21-15)14(19-23)18-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,17,23H,4,6-7H2,1H3,(H,18,19)/t12-,27?/m0/s1
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n/an/a 56.8n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483629
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CC(O)CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-9(24)8-28(18,26)5-4-19-15-14(22-27-23-15)16(21-25)20-13-6-10-2-3-11(17)7-12(10)13/h2-3,7,9,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t9?,13-,28?/m1/s1
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n/an/a 56.8n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483623
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCC(O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-28(18,26)5-4-11(24)8-19-15-14(22-27-23-15)16(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m1/s1
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n/an/a 57.8n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483540
PNG
(2-((4-(N-((S)-4- fluorobicyclo[4.2.0]octa-1(6),2,4...)
Show SMILES CS(=N)(=O)CCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN7O4S/c1-29(18,27)5-4-19-13(25)8-20-15-14(23-28-24-15)16(22-26)21-12-6-9-2-3-10(17)7-11(9)12/h2-3,7,12,18,26H,4-6,8H2,1H3,(H,19,25)(H,20,24)(H,21,22)/t12-,29?/m0/s1
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n/an/a 58.2n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483613
PNG
(4-{[2-(S- cyclopropylsulfonimidoyl)ethyl]amino}- N...)
Show SMILES O\N=C(\N[C@@H]1Cc2ccc(F)cc12)c1nonc1NCCS(=N)(=O)C1CC1
Show InChI InChI=1S/C16H19FN6O3S/c17-10-2-1-9-7-13(12(9)8-10)20-16(21-24)14-15(23-26-22-14)19-5-6-27(18,25)11-3-4-11/h1-2,8,11,13,18,24H,3-7H2,(H,19,23)(H,20,21)/t13-,27?/m1/s1
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n/an/a 59.1n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483561
PNG
(4-{[2-(N,S- dimethylsulfonimidoyl)ethyl]amino}-N- ...)
Show SMILES CN=S(C)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O3S/c1-17-26(2,24)6-5-18-14-13(21-25-22-14)15(20-23)19-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,23H,5-7H2,1-2H3,(H,18,22)(H,19,20)/t12-,26?/m0/s1
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n/an/a 59.8n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483553
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O4S/c1-27(17,25)7-10(23)6-18-14-13(21-26-22-14)15(20-24)19-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,17,23-24H,4,6-7H2,1H3,(H,18,22)(H,19,20)/t10?,12-,27?/m0/s1
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n/an/a 60.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483611
PNG
(4-({2-[(N,S- dimethylsulfonimidoyl)amino]ethyl}ami...)
Show SMILES CN=S(C)(=O)NCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C15H20FN7O3S/c1-17-27(2,25)19-6-5-18-14-13(22-26-23-14)15(21-24)20-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,24H,5-7H2,1-2H3,(H,18,23)(H,20,21)(H,17,19,25)/t12-,27?/m0/s1
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n/an/a 63.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483540
PNG
(2-((4-(N-((S)-4- fluorobicyclo[4.2.0]octa-1(6),2,4...)
Show SMILES CS(=N)(=O)CCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN7O4S/c1-29(18,27)5-4-19-13(25)8-20-15-14(23-28-24-15)16(22-26)21-12-6-9-2-3-10(17)7-11(9)12/h2-3,7,12,18,26H,4-6,8H2,1H3,(H,19,25)(H,20,24)(H,21,22)/t12-,29?/m0/s1
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n/an/a 63.8n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483617
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES C[S@](=N)(=O)C1C[C@@H](C1)Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H19FN6O3S/c1-27(18,25)11-6-10(7-11)19-16-14(22-26-23-16)15(21-24)20-13-4-8-2-3-9(17)5-12(8)13/h2-3,5,10-11,13,18,24H,4,6-7H2,1H3,(H,19,23)(H,20,21)/t10-,11?,13-,27+/m1/s1
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n/an/a 63.9n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483613
PNG
(4-{[2-(S- cyclopropylsulfonimidoyl)ethyl]amino}- N...)
Show SMILES O\N=C(\N[C@@H]1Cc2ccc(F)cc12)c1nonc1NCCS(=N)(=O)C1CC1
Show InChI InChI=1S/C16H19FN6O3S/c17-10-2-1-9-7-13(12(9)8-10)20-16(21-24)14-15(23-26-22-14)19-5-6-27(18,25)11-3-4-11/h1-2,8,11,13,18,24H,3-7H2,(H,19,23)(H,20,21)/t13-,27?/m1/s1
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n/an/a 64.6n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483545
PNG
(4-((2-(N-cyano-S- methylsulfonimidoyl)ethyl)amino)...)
Show SMILES CS(=O)(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)=NC#N
Show InChI InChI=1S/C15H16FN7O3S/c1-27(25,19-8-17)5-4-18-14-13(22-26-23-14)15(21-24)20-12-6-9-2-3-10(16)7-11(9)12/h2-3,7,12,24H,4-6H2,1H3,(H,18,23)(H,20,21)/t12-,27?/m0/s1
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n/an/a 64.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483546
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-y...)
Show SMILES CS(=N)(=O)N1CCC(CC1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H22FN7O3S/c1-29(19,27)25-6-4-12(5-7-25)20-17-15(23-28-24-17)16(22-26)21-14-8-10-2-3-11(18)9-13(10)14/h2-3,9,12,14,19,26H,4-8H2,1H3,(H,20,24)(H,21,22)/t14-,29?/m0/s1
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n/an/a 67.2n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483546
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-y...)
Show SMILES CS(=N)(=O)N1CCC(CC1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H22FN7O3S/c1-29(19,27)25-6-4-12(5-7-25)20-17-15(23-28-24-17)16(22-26)21-14-8-10-2-3-11(18)9-13(10)14/h2-3,9,12,14,19,26H,4-8H2,1H3,(H,20,24)(H,21,22)/t14-,29?/m0/s1
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n/an/a 68.3n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483588
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)NCCCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H22FN7O3S/c1-28(18,26)20-7-3-2-6-19-15-14(23-27-24-15)16(22-25)21-13-8-10-4-5-11(17)9-12(10)13/h4-5,9,13,25H,2-3,6-8H2,1H3,(H,19,24)(H,21,22)(H2,18,20,26)/t13-,28?/m0/s1
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n/an/a 69.4n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483553
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O4S/c1-27(17,25)7-10(23)6-18-14-13(21-26-22-14)15(20-24)19-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,17,23-24H,4,6-7H2,1H3,(H,18,22)(H,19,20)/t10?,12-,27?/m0/s1
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n/an/a 70.4n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483594
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=O)(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O)=NCCO
Show InChI InChI=1S/C16H21FN6O4S/c1-28(26,19-4-6-24)7-5-18-15-14(22-27-23-15)16(21-25)20-13-8-10-2-3-11(17)9-12(10)13/h2-3,9,13,24-25H,4-8H2,1H3,(H,18,23)(H,20,21)/t13-,28?/m0/s1
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n/an/a 70.6n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483619
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)C1CC2(CC(C2)Nc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C19H23FN6O3S/c1-30(21,28)13-8-19(9-13)6-12(7-19)22-18-16(25-29-26-18)17(24-27)23-15-4-10-2-3-11(20)5-14(10)15/h2-3,5,12-13,15,21,27H,4,6-9H2,1H3,(H,22,26)(H,23,24)/t12?,13?,15-,19?,30?/m1/s1
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n/an/a 73.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483623
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCC(O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-28(18,26)5-4-11(24)8-19-15-14(22-27-23-15)16(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m1/s1
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n/an/a 77.5n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483615
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CC(CNc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C16H20FN7O3S/c1-28(18,26)24-7-9(8-24)6-19-15-14(22-27-23-15)16(21-25)20-13-4-10-2-3-11(17)5-12(10)13/h2-3,5,9,13,18,25H,4,6-8H2,1H3,(H,19,23)(H,20,21)/t13-,28?/m1/s1
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n/an/a 79.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483615
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CC(CNc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C16H20FN7O3S/c1-28(18,26)24-7-9(8-24)6-19-15-14(22-27-23-15)16(21-25)20-13-4-10-2-3-11(17)5-12(10)13/h2-3,5,9,13,18,25H,4,6-8H2,1H3,(H,19,23)(H,20,21)/t13-,28?/m1/s1
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n/an/a 80n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483611
PNG
(4-({2-[(N,S- dimethylsulfonimidoyl)amino]ethyl}ami...)
Show SMILES CN=S(C)(=O)NCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C15H20FN7O3S/c1-17-27(2,25)19-6-5-18-14-13(22-26-23-14)15(21-24)20-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,24H,5-7H2,1-2H3,(H,18,23)(H,20,21)(H,17,19,25)/t12-,27?/m0/s1
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n/an/a 80.8n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483627
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CC12CC(C1)(C2)Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C18H21FN6O3S/c1-29(20,27)9-17-6-18(7-17,8-17)22-16-14(24-28-25-16)15(23-26)21-13-4-10-2-3-11(19)5-12(10)13/h2-3,5,13,20,26H,4,6-9H2,1H3,(H,21,23)(H,22,25)/t13-,17?,18?,29?/m1/s1
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n/an/a 81.5n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483603
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H19FN6O4S/c1-28(18,25)23-10-6-11(7-10)26-16-14(21-27-22-16)15(20-24)19-13-4-8-2-3-9(17)5-12(8)13/h2-3,5,10-11,13,24H,4,6-7H2,1H3,(H,19,20)(H2,18,23,25)/t10-,11+,13-,28?/m1/s1
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n/an/a 81.6n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483561
PNG
(4-{[2-(N,S- dimethylsulfonimidoyl)ethyl]amino}-N- ...)
Show SMILES CN=S(C)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H19FN6O3S/c1-17-26(2,24)6-5-18-14-13(21-25-22-14)15(20-23)19-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,23H,5-7H2,1-2H3,(H,18,22)(H,19,20)/t12-,26?/m0/s1
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n/an/a 81.6n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483607
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCO[C@@H](CNc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C17H22FN7O4S/c1-30(19,27)25-4-5-28-12(9-25)8-20-16-15(23-29-24-16)17(22-26)21-14-6-10-2-3-11(18)7-13(10)14/h2-3,7,12,14,19,26H,4-6,8-9H2,1H3,(H,20,24)(H,21,22)/t12-,14+,30?/m0/s1
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n/an/a 83n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483563
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CC(O)(CNc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N\O)C1
Show InChI InChI=1S/C16H20FN7O4S/c1-29(18,27)24-7-16(25,8-24)6-19-14-13(22-28-23-14)15(21-26)20-12-4-9-2-3-10(17)5-11(9)12/h2-3,5,12,18,25-26H,4,6-8H2,1H3,(H,19,23)(H,20,21)/t12-,29?/m0/s1
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n/an/a 85.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483535
PNG
(N—((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-tr...)
Show SMILES C[S@](=N)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H17FN6O3S/c1-25(16,23)5-4-17-13-12(20-24-21-13)14(19-22)18-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,16,22H,4-6H2,1H3,(H,17,21)(H,18,19)/t11-,25-/m0/s1
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n/an/a 86n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483636
PNG
(N—((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-tr...)
Show SMILES C[S@@](=N)(=O)CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H17FN6O3S/c1-25(16,23)5-4-17-13-12(20-24-21-13)14(19-22)18-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,16,22H,4-6H2,1H3,(H,17,21)(H,18,19)/t11-,25+/m0/s1
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n/an/a 88.1n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483619
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)C1CC2(CC(C2)Nc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C19H23FN6O3S/c1-30(21,28)13-8-19(9-13)6-12(7-19)22-18-16(25-29-26-18)17(24-27)23-15-4-10-2-3-11(20)5-14(10)15/h2-3,5,12-13,15,21,27H,4,6-9H2,1H3,(H,22,26)(H,23,24)/t12?,13?,15-,19?,30?/m1/s1
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n/an/a 90.4n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483637
PNG
(N—((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-tr...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1N[C@H]1C[S@](=N)(=O)C1
Show InChI InChI=1S/C14H15FN6O3S/c15-8-2-1-7-3-11(10(7)4-8)18-13(19-22)12-14(21-24-20-12)17-9-5-25(16,23)6-9/h1-2,4,9,11,16,22H,3,5-6H2,(H,17,21)(H,18,19)/t9-,11-,25-/m0/s1
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n/an/a 90.6n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483627
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CC12CC(C1)(C2)Nc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C18H21FN6O3S/c1-29(20,27)9-17-6-18(7-17,8-17)22-16-14(24-28-25-16)15(23-26)21-13-4-10-2-3-11(19)5-12(10)13/h2-3,5,13,20,26H,4,6-9H2,1H3,(H,21,23)(H,22,25)/t13-,17?,18?,29?/m1/s1
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n/an/a 91.7n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483590
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)NCC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C15H20FN7O4S/c1-28(17,26)19-7-10(24)6-18-14-13(22-27-23-14)15(21-25)20-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,24-25H,4,6-7H2,1H3,(H,18,23)(H,20,21)(H2,17,19,26)/t10?,12-,28?/m0/s1
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n/an/a 92.9n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483569
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H17FN6O4S/c1-27(17,24)22-6-10(7-22)25-15-13(20-26-21-15)14(19-23)18-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,17,23H,4,6-7H2,1H3,(H,18,19)/t12-,27?/m0/s1
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n/an/a 94n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483623
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCC(O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-28(18,26)5-4-11(24)8-19-15-14(22-27-23-15)16(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m1/s1
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n/an/a 94.5n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483623
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCC(O)CNc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H21FN6O4S/c1-28(18,26)5-4-11(24)8-19-15-14(22-27-23-15)16(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,24-25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m1/s1
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n/an/a 95n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483607
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCO[C@@H](CNc2nonc2\C(N[C@@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C17H22FN7O4S/c1-30(19,27)25-4-5-28-12(9-25)8-20-16-15(23-29-24-16)17(22-26)21-14-6-10-2-3-11(18)7-13(10)14/h2-3,7,12,14,19,26H,4-6,8-9H2,1H3,(H,20,24)(H,21,22)/t12-,14+,30?/m0/s1
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n/an/a 98n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483537
PNG
(N—((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-tr...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NC[C@H]1C[S@@](=N)(=O)C1
Show InChI InChI=1S/C15H17FN6O3S/c16-10-2-1-9-3-12(11(9)4-10)19-15(20-23)13-14(22-25-21-13)18-5-8-6-26(17,24)7-8/h1-2,4,8,12,17,23H,3,5-7H2,(H,18,22)(H,19,20)/t8-,12-,26+/m0/s1
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n/an/a 102n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483590
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)NCC(O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C15H20FN7O4S/c1-28(17,26)19-7-10(24)6-18-14-13(22-27-23-14)15(21-25)20-12-4-8-2-3-9(16)5-11(8)12/h2-3,5,10,12,24-25H,4,6-7H2,1H3,(H,18,23)(H,20,21)(H2,17,19,26)/t10?,12-,28?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483572
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCC(C1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN7O3S/c1-28(18,26)24-5-4-11(8-24)19-16-14(22-27-23-16)15(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483563
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CC(O)(CNc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N\O)C1
Show InChI InChI=1S/C16H20FN7O4S/c1-29(18,27)24-7-16(25,8-24)6-19-14-13(22-28-23-14)15(21-26)20-12-4-9-2-3-10(17)5-11(9)12/h2-3,5,12,18,25-26H,4,6-8H2,1H3,(H,19,23)(H,20,21)/t12-,29?/m0/s1
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n/an/a 108n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483589
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CN(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O)S(C)(=N)=O
Show InChI InChI=1S/C15H20FN7O3S/c1-23(27(2,17)25)6-5-18-14-13(21-26-22-14)15(20-24)19-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,17,24H,5-7H2,1-2H3,(H,18,22)(H,19,20)/t12-,27?/m0/s1
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n/an/a 108n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483633
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2cccc(F)c12)=N/O
Show InChI InChI=1S/C14H17FN6O3S/c1-25(16,23)6-5-17-13-12(20-24-21-13)14(19-22)18-10-7-8-3-2-4-9(15)11(8)10/h2-4,10,16,22H,5-7H2,1H3,(H,17,21)(H,18,19)/t10-,25?/m1/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483584
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CC(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H19FN6O5S/c1-30(19,27)8-14(25)24-6-11(7-24)28-17-15(22-29-23-17)16(21-26)20-13-4-9-2-3-10(18)5-12(9)13/h2-3,5,11,13,19,26H,4,6-8H2,1H3,(H,20,21)/t13-,30?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483584
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CC(=O)N1CC(C1)Oc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H19FN6O5S/c1-30(19,27)8-14(25)24-6-11(7-24)28-17-15(22-29-23-17)16(21-26)20-13-4-9-2-3-10(18)5-12(9)13/h2-3,5,11,13,19,26H,4,6-8H2,1H3,(H,20,21)/t13-,30?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483579
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCOCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H21FN6O4S/c1-28(18,25)7-6-26-5-4-19-15-14(22-27-23-15)16(21-24)20-13-8-10-2-3-11(17)9-12(10)13/h2-3,9,13,18,24H,4-8H2,1H3,(H,19,23)(H,20,21)/t13-,28?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483599
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCO[C@@H](CNc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C17H22FN7O4S/c1-30(19,27)25-4-5-28-12(9-25)8-20-16-15(23-29-24-16)17(22-26)21-14-6-10-2-3-11(18)7-13(10)14/h2-3,7,12,14,19,26H,4-6,8-9H2,1H3,(H,20,24)(H,21,22)/t12-,14-,30?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483536
PNG
(N—((S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-tr...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1N[C@H]1C[S@@](=N)(=O)C1
Show InChI InChI=1S/C14H15FN6O3S/c15-8-2-1-7-3-11(10(7)4-8)18-13(19-22)12-14(21-24-20-12)17-9-5-25(16,23)6-9/h1-2,4,9,11,16,22H,3,5-6H2,(H,17,21)(H,18,19)/t9-,11-,25+/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483594
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=O)(CCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N/O)=NCCO
Show InChI InChI=1S/C16H21FN6O4S/c1-28(26,19-4-6-24)7-5-18-15-14(22-27-23-15)16(21-25)20-13-8-10-2-3-11(17)9-12(10)13/h2-3,9,13,24-25H,4-8H2,1H3,(H,18,23)(H,20,21)/t13-,28?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483549
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NCC1CCS1(=N)=O
Show InChI InChI=1S/C15H17FN6O3S/c16-9-2-1-8-5-12(11(8)6-9)19-15(20-23)13-14(22-25-21-13)18-7-10-3-4-26(10,17)24/h1-2,6,10,12,17,23H,3-5,7H2,(H,18,22)(H,19,20)/t10?,12-,26?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483549
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES O\N=C(/N[C@H]1Cc2ccc(F)cc12)c1nonc1NCC1CCS1(=N)=O
Show InChI InChI=1S/C15H17FN6O3S/c16-9-2-1-8-5-12(11(8)6-9)19-15(20-23)13-14(22-25-21-13)18-7-10-3-4-26(10,17)24/h1-2,6,10,12,17,23H,3-5,7H2,(H,18,22)(H,19,20)/t10?,12-,26?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483603
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N[C@H]1C[C@H](C1)Oc1nonc1\C(N[C@@H]1Cc2ccc(F)cc12)=N/O
Show InChI InChI=1S/C16H19FN6O4S/c1-28(18,25)23-10-6-11(7-10)26-16-14(21-27-22-16)15(20-24)19-13-4-8-2-3-9(17)5-12(8)13/h2-3,5,10-11,13,24H,4,6-7H2,1H3,(H,19,20)(H2,18,23,25)/t10-,11+,13-,28?/m1/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483579
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCOCCNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H21FN6O4S/c1-28(18,25)7-6-26-5-4-19-15-14(22-27-23-15)16(21-24)20-13-8-10-2-3-11(17)9-12(10)13/h2-3,9,13,18,24H,4-8H2,1H3,(H,19,23)(H,20,21)/t13-,28?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483543
PNG
(4-(((E)-2-(N-cyano-S- methylsulfonimidoyl)vinyl)am...)
Show SMILES CS(=O)(\C=C\Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O)=NC#N
Show InChI InChI=1S/C15H14FN7O3S/c1-27(25,19-8-17)5-4-18-14-13(22-26-23-14)15(21-24)20-12-6-9-2-3-10(16)7-11(9)12/h2-5,7,12,24H,6H2,1H3,(H,18,23)(H,20,21)/b5-4+/t12-,27?/m0/s1
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n/an/a 165n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483572
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCC(C1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN7O3S/c1-28(18,26)24-5-4-11(8-24)19-16-14(22-27-23-16)15(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m0/s1
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n/an/a 169n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483586
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H17FN6O4S/c1-26(16,23)17-4-5-24-14-12(20-25-21-14)13(19-22)18-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,22H,4-6H2,1H3,(H,18,19)(H2,16,17,23)/t11-,26?/m0/s1
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n/an/a 175n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483572
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCC(C1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN7O3S/c1-28(18,26)24-5-4-11(8-24)19-16-14(22-27-23-16)15(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m0/s1
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n/an/a 175n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483559
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CCCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN5O4S/c1-27(18,24)7-3-2-6-25-16-14(21-26-22-16)15(20-23)19-13-8-10-4-5-11(17)9-12(10)13/h4-5,9,13,18,23H,2-3,6-8H2,1H3,(H,19,20)/t13-,27?/m0/s1
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n/an/a 178n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483559
PNG
(N-((S)-4-fluorobicyclo[4.2.0]octa- 1(6),2,4-trien-...)
Show SMILES CS(=N)(=O)CCCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN5O4S/c1-27(18,24)7-3-2-6-25-16-14(21-26-22-16)15(20-23)19-13-8-10-4-5-11(17)9-12(10)13/h4-5,9,13,18,23H,2-3,6-8H2,1H3,(H,19,20)/t13-,27?/m0/s1
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n/an/a 184n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483633
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)CCNc1nonc1\C(N[C@@H]1Cc2cccc(F)c12)=N/O
Show InChI InChI=1S/C14H17FN6O3S/c1-25(16,23)6-5-17-13-12(20-24-21-13)14(19-22)18-10-7-8-3-2-4-9(15)11(8)10/h2-4,10,16,22H,5-7H2,1H3,(H,17,21)(H,18,19)/t10-,25?/m1/s1
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n/an/a 206n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483639
PNG
(US10927086, Example 31 | propoxy)-1,2,5-oxadiazole...)
Show SMILES C[S@](=N)(=O)CCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H18FN5O4S/c1-26(17,23)6-2-5-24-15-13(20-25-21-15)14(19-22)18-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,17,22H,2,5-7H2,1H3,(H,18,19)/t12-,26-/m0/s1
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n/an/a 213n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483572
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCC(C1)Nc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C16H20FN7O3S/c1-28(18,26)24-5-4-11(8-24)19-16-14(22-27-23-16)15(21-25)20-13-6-9-2-3-10(17)7-12(9)13/h2-3,7,11,13,18,25H,4-6,8H2,1H3,(H,19,23)(H,20,21)/t11?,13-,28?/m0/s1
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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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483558
PNG
(US10927086, Example 30 | propoxy)-1,2,5-oxadiazole...)
Show SMILES C[S@@](=N)(=O)CCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C15H18FN5O4S/c1-26(17,23)6-2-5-24-15-13(20-25-21-15)14(19-22)18-12-7-9-3-4-10(16)8-11(9)12/h3-4,8,12,17,22H,2,5-7H2,1H3,(H,18,19)/t12-,26+/m0/s1
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n/an/a 231n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483599
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)N1CCO[C@@H](CNc2nonc2\C(N[C@H]2Cc3ccc(F)cc23)=N/O)C1
Show InChI InChI=1S/C17H22FN7O4S/c1-30(19,27)25-4-5-28-12(9-25)8-20-16-15(23-29-24-16)17(22-26)21-14-6-10-2-3-11(18)7-13(10)14/h2-3,7,12,14,19,26H,4-6,8-9H2,1H3,(H,20,24)(H,21,22)/t12-,14-,30?/m0/s1
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n/an/a 234n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483568
PNG
(N-[2-(N,S-dimethylsulfonimidoyl)ethyl]- N~2~-(4-{N...)
Show SMILES CN=S(C)(=O)CCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C17H22FN7O4S/c1-19-30(2,28)6-5-20-14(26)9-21-16-15(24-29-25-16)17(23-27)22-13-7-10-3-4-11(18)8-12(10)13/h3-4,8,13,27H,5-7,9H2,1-2H3,(H,20,26)(H,21,25)(H,22,23)/t13-,30?/m0/s1
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n/an/a 237n/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 US10927086 (2021)

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


(Homo sapiens (Human))
BDBM483586
PNG
(N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5- trien-7-...)
Show SMILES CS(=N)(=O)NCCOc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
Show InChI InChI=1S/C14H17FN6O4S/c1-26(16,23)17-4-5-24-14-12(20-25-21-14)13(19-22)18-11-6-8-2-3-9(15)7-10(8)11/h2-3,7,11,22H,4-6H2,1H3,(H,18,19)(H2,16,17,23)/t11-,26?/m0/s1
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n/an/a 262n/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 US10927086 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%