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Compile Data Set for Download or QSAR

Found 394 hits of ec50 for UniProtKB: P21675   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346986
PNG
(US10202379, Reference Example 730)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(C#C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H20F3N3O3S/c1-3-16-7-6-8-17-13-36-20-10-5-4-9-18(20)22(21(16)17)32-14-30(15(2)26(27,28)29)25(35)23-24(34)19(33)11-12-31(23)32/h1,4-12,15,22,34H,13-14H2,2H3/t15-,22-/m1/s1
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n/an/an/an/a 0.799n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346956
PNG
(US10202379, Reference Example 654)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(Br)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19BrF3N3O3S/c1-13(24(26,27)28)29-12-31(30-10-9-17(32)22(33)21(30)23(29)34)20-15-6-2-3-8-18(15)35-11-14-5-4-7-16(25)19(14)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346932
PNG
(US10202379, Reference Example 621)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-17(33)21(34)20(31)23(30)35)19-14-5-3-7-16(26)22(14)36-10-13-4-2-6-15(25)18(13)19/h2-9,12,19,34H,10-11H2,1H3/t12-,19-/m1/s1
PDB

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n/an/an/an/a 2n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346987
PNG
(US10202379, Reference Example 731)
Show SMILES CCc1cccc2CSc3ccccc3[C@@H](N3CN([C@H](C)C(F)(F)F)C(=O)c4c(O)c(=O)ccn34)c12 |r|
Show InChI InChI=1S/C26H24F3N3O3S/c1-3-16-7-6-8-17-13-36-20-10-5-4-9-18(20)22(21(16)17)32-14-30(15(2)26(27,28)29)25(35)23-24(34)19(33)11-12-31(23)32/h4-12,15,22,34H,3,13-14H2,1-2H3/t15-,22-/m1/s1
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n/an/an/an/a 2.08n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346934
PNG
(US10202379, Reference Example 623)
Show SMILES C[C@@H](N1CN([C@H]2c3cccc(F)c3CSc3c(C)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F4N3O3S/c1-13-5-3-7-16-20(15-6-4-8-18(26)17(15)11-36-23(13)16)32-12-30(14(2)25(27,28)29)24(35)21-22(34)19(33)9-10-31(21)32/h3-10,14,20,34H,11-12H2,1-2H3/t14-,20+/m1/s1
PDB

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n/an/an/an/a 3n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346840
PNG
(US10202379, Reference Example 470)
Show SMILES C[C@@H](N1CN([C@H]2c3ccc(F)cc3CSc3c(F)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18F5N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-18(33)21(34)20(31)23(30)35)19-15-6-5-14(25)9-13(15)10-36-22-16(19)3-2-4-17(22)26/h2-9,12,19,34H,10-11H2,1H3/t12-,19+/m1/s1
PDB

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n/an/an/an/a 3n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346819
PNG
(US10202379, Reference Example 444)
Show SMILES C[C@@H](N1CN([C@H]2c3ccccc3CSc3c(F)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F4N3O3S/c1-13(24(26,27)28)29-12-31(30-10-9-18(32)21(33)20(30)23(29)34)19-15-6-3-2-5-14(15)11-35-22-16(19)7-4-8-17(22)25/h2-10,13,19,33H,11-12H2,1H3/t13-,19+/m1/s1
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n/an/an/an/a 3n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346806
PNG
(US10202379, Reference Example 417)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF3N3O3S/c1-13(24(26,27)28)29-12-31(30-10-9-18(32)22(33)21(30)23(29)34)20-14-6-4-7-17(25)16(14)11-35-19-8-3-2-5-15(19)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20+/m1/s1
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n/an/an/an/a 3n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346972
PNG
(US10202379, Reference Example 707)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(Cl)c23)n2cc(B(O)O)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H20BClF3N3O5S/c1-12(24(27,28)29)30-11-32(31-9-15(25(36)37)21(33)22(34)20(31)23(30)35)19-14-6-2-3-8-17(14)38-10-13-5-4-7-16(26)18(13)19/h2-9,12,19,34,36-37H,10-11H2,1H3/t12-,19-/m1/s1
PDB

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n/an/an/an/a 3.05n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346990
PNG
(US10202379, Reference Example 752)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(N(C)C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H25F3N4O3S/c1-15(26(27,28)29)31-14-33(32-12-11-19(34)24(35)23(32)25(31)36)22-17-8-4-5-10-20(17)37-13-16-7-6-9-18(21(16)22)30(2)3/h4-12,15,22,35H,13-14H2,1-3H3/t15-,22-/m1/s1
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n/an/an/an/a 3.12n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346966
PNG
(US10202379, Reference Example 682)
Show SMILES Oc1c2C(=O)N3CCOC[C@@H]3N([C@@H]3c4ccccc4SCc4cccc(Cl)c34)n2ccc1=O |r|
Show InChI InChI=1S/C24H20ClN3O4S/c25-16-6-3-4-14-13-33-18-7-2-1-5-15(18)21(20(14)16)28-19-12-32-11-10-26(19)24(31)22-23(30)17(29)8-9-27(22)28/h1-9,19,21,30H,10-13H2/t19-,21+/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346970
PNG
(US10202379, Reference Example 704)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)c(F)ccc23)n2cc(C)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H20F5N3O3S/c1-12-9-32-21(23(35)22(12)34)24(36)31(13(2)25(28,29)30)11-33(32)20-14-7-8-17(26)19(27)16(14)10-37-18-6-4-3-5-15(18)20/h3-9,13,20,35H,10-11H2,1-2H3/t13-,20+/m1/s1
PDB

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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346988
PNG
(US10202379, Reference Example 741)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(c23)C(F)(F)F)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H19F6N3O3S/c1-13(24(26,27)28)32-12-34(33-10-9-17(35)22(36)21(33)23(32)37)20-15-6-2-3-8-18(15)38-11-14-5-4-7-16(19(14)20)25(29,30)31/h2-10,13,20,36H,11-12H2,1H3/t13-,20-/m1/s1
PDB

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n/an/an/an/a 3.51n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346993
PNG
(US10202379, Reference Example 768)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(C)c3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF3N3O3S/c1-13-5-3-7-16-20(19-15(11-36-23(13)16)6-4-8-17(19)26)32-12-30(14(2)25(27,28)29)24(35)21-22(34)18(33)9-10-31(21)32/h3-10,14,20,34H,11-12H2,1-2H3/t14-,20-/m1/s1
PDB

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n/an/an/an/a 3.64n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346995
PNG
(US10202379, Reference Example 772)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccc(F)cc3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-17(33)22(34)21(31)23(30)35)20-15-6-5-14(26)9-18(15)36-10-13-3-2-4-16(25)19(13)20/h2-9,12,20,34H,10-11H2,1H3/t12-,20-/m1/s1
PDB

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n/an/an/an/a 3.68n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346980
PNG
(US10202379, Reference Example 720 | US10202379, Re...)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(C)c3SCc3cccc(C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F3N3O3S/c1-14-6-4-8-17-12-36-24-15(2)7-5-9-18(24)21(20(14)17)32-13-30(16(3)26(27,28)29)25(35)22-23(34)19(33)10-11-31(22)32/h4-11,16,21,34H,12-13H2,1-3H3/t16-,21-/m1/s1
PDB

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n/an/an/an/a 3.78n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346965
PNG
(US10202379, Reference Example 668)
Show SMILES C[C@@H](N1CN([C@H]2c3cc(F)c(F)cc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18F5N3O3S/c1-12(24(27,28)29)30-11-32(31-7-6-18(33)22(34)21(31)23(30)35)20-14-4-2-3-5-19(14)36-10-13-8-16(25)17(26)9-15(13)20/h2-9,12,20,34H,10-11H2,1H3/t12-,20-/m1/s1
PDB

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n/an/an/an/a 3.84n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346964
PNG
(US10202379, Reference Example 666)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(Cl)c23)n2cc(CO)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF3N3O4S/c1-13(25(27,28)29)30-12-32(31-9-15(10-33)22(34)23(35)21(31)24(30)36)20-16-6-2-3-8-18(16)37-11-14-5-4-7-17(26)19(14)20/h2-9,13,20,33,35H,10-12H2,1H3/t13-,20-/m1/s1
PDB

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n/an/an/an/a 3.91n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346984
PNG
(US10202379, Reference Example 726)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(C#C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H19F4N3O3S/c1-3-15-6-4-7-16-12-37-24-17(8-5-9-18(24)27)21(20(15)16)33-13-31(14(2)26(28,29)30)25(36)22-23(35)19(34)10-11-32(22)33/h1,4-11,14,21,35H,12-13H2,2H3/t14-,21-/m1/s1
PDB

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US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346980
PNG
(US10202379, Reference Example 720 | US10202379, Re...)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(C)c3SCc3cccc(C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F3N3O3S/c1-14-6-4-8-17-12-36-24-15(2)7-5-9-18(24)21(20(14)17)32-13-30(16(3)26(27,28)29)25(35)22-23(34)19(33)10-11-31(22)32/h4-11,16,21,34H,12-13H2,1-3H3/t16-,21-/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346828
PNG
(US10202379, Reference Example 454)
Show SMILES C[C@@H](N1CN([C@H]2c3ccc(F)cc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F4N3O3S/c1-13(24(26,27)28)29-12-31(30-9-8-18(32)22(33)21(30)23(29)34)20-16-7-6-15(25)10-14(16)11-35-19-5-3-2-4-17(19)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20+/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346839
PNG
(US10202379, Reference Example 469)
Show SMILES C[C@@H](N1CN([C@H]2c3cccc(F)c3CSc3c(F)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18F5N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-18(33)21(34)20(31)23(30)35)19-13-4-2-6-16(25)15(13)10-36-22-14(19)5-3-7-17(22)26/h2-9,12,19,34H,10-11H2,1H3/t12-,19+/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346917
PNG
(US10202379, Reference Example 594)
Show SMILES C[C@@H](N1CN([C@H]2c3cccc(F)c3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-18(33)21(34)20(31)23(30)35)19-13-4-3-7-17(26)15(13)10-36-22-14(19)5-2-6-16(22)25/h2-9,12,19,34H,10-11H2,1H3/t12-,19+/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346923
PNG
(US10202379, Reference Example 602)
Show SMILES C[C@@H](N1CN([C@H]2c3ccc(F)cc3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-18(33)21(34)20(31)23(30)35)19-15-6-5-14(26)9-13(15)10-36-22-16(19)3-2-4-17(22)25/h2-9,12,19,34H,10-11H2,1H3/t12-,19+/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346830
PNG
(US10202379, Reference Example 456)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(F)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F4N3O3S/c1-13(24(26,27)28)29-12-31(30-10-9-17(32)22(33)21(30)23(29)34)20-15-6-2-3-8-18(15)35-11-14-5-4-7-16(25)19(14)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20-/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346812
PNG
(US10202379, Reference Example 429)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF3N3O3S/c1-13(24(26,27)28)29-12-31(30-10-9-17(32)22(33)21(30)23(29)34)20-15-6-2-3-8-18(15)35-11-14-5-4-7-16(25)19(14)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20-/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346818
PNG
(US10202379, Reference Example 443)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3ccc(Cl)cc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF3N3O3S/c1-13(24(26,27)28)29-12-31(30-9-8-18(32)22(33)21(30)23(29)34)20-16-4-2-3-5-19(16)35-11-14-6-7-15(25)10-17(14)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20-/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346820
PNG
(US10202379, Reference Example 445)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F4N3O3S/c1-13(24(26,27)28)29-12-31(30-10-9-18(32)22(33)21(30)23(29)34)20-14-6-4-7-17(25)16(14)11-35-19-8-3-2-5-15(19)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20+/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346994
PNG
(US10202379, Reference Example 771)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(Br)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18BrF4N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-17(33)21(34)20(31)23(30)35)19-14-5-3-7-16(26)22(14)36-10-13-4-2-6-15(25)18(13)19/h2-9,12,19,34H,10-11H2,1H3/t12-,19-/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346968
PNG
(US10202379, Reference Example 691)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(C4CC4)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C27H24F3N3O3S/c1-15(27(28,29)30)31-14-33(32-12-11-20(34)25(35)24(32)26(31)36)23-19-6-2-3-8-21(19)37-13-17-5-4-7-18(22(17)23)16-9-10-16/h2-8,11-12,15-16,23,35H,9-10,13-14H2,1H3/t15-,23-/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346976
PNG
(US10202379, Reference Example 711)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)c(F)ccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18F5N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-17(33)22(34)21(31)23(30)35)20-13-6-7-16(25)19(26)15(13)10-36-18-5-3-2-4-14(18)20/h2-9,12,20,34H,10-11H2,1H3/t12-,20+/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346985
PNG
(US10202379, Reference Example 728)
Show SMILES COc1cccc2CSc3ccccc3[C@@H](N3CN([C@H](C)C(F)(F)F)C(=O)c4c(O)c(=O)ccn34)c12 |r|
Show InChI InChI=1S/C25H22F3N3O4S/c1-14(25(26,27)28)29-13-31(30-11-10-17(32)23(33)22(30)24(29)34)21-16-7-3-4-9-19(16)36-12-15-6-5-8-18(35-2)20(15)21/h3-11,14,21,33H,12-13H2,1-2H3/t14-,21-/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346963
PNG
(US10202379, Reference Example 665)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F3N3O3S/c1-14-6-5-7-16-12-35-19-9-4-3-8-17(19)21(20(14)16)31-13-29(15(2)25(26,27)28)24(34)22-23(33)18(32)10-11-30(22)31/h3-11,15,21,33H,12-13H2,1-2H3/t15-,21-/m1/s1
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US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346802
PNG
(US10202379, Reference Example 413)
Show SMILES C[C@@H](N1CN([C@H]2c3ccccc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1
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SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346919
PNG
(US10202379, Reference Example 598)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccc(F)cc3SCc3cccc(F)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18F5N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-17(33)22(34)21(31)23(30)35)20-15-6-5-14(25)9-18(15)36-10-13-3-2-4-16(26)19(13)20/h2-9,12,20,34H,10-11H2,1H3/t12-,20-/m1/s1
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US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346723
PNG
(US10202379, Reference Example 326)
Show SMILES CC(C)N1CN(C2c3ccccc3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H22ClN3O3S/c1-14(2)26-13-28(27-11-10-19(29)22(30)21(27)24(26)31)20-16-7-4-3-6-15(16)12-32-23-17(20)8-5-9-18(23)25/h3-11,14,20,30H,12-13H2,1-2H3
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US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346817
PNG
(US10202379, Reference Example 441)
Show SMILES C[C@@H](N1CN([C@H]2c3cc(F)ccc3CSc3ccccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F4N3O3S/c1-13(24(26,27)28)29-12-31(30-9-8-18(32)22(33)21(30)23(29)34)20-16-4-2-3-5-19(16)35-11-14-6-7-15(25)10-17(14)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20-/m1/s1
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US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346837
PNG
(US10202379, Reference Example 463)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(Br)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19BrF3N3O3S/c1-13(24(26,27)28)29-12-31(30-10-9-18(32)22(33)21(30)23(29)34)20-14-6-4-7-17(25)16(14)11-35-19-8-3-2-5-15(19)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20+/m1/s1
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US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346978
PNG
(US10202379, Reference Example 716)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)c(F)ccc23)n2cc(Cl)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H17ClF5N3O3S/c1-11(24(28,29)30)31-10-33(32-8-15(25)21(34)22(35)20(32)23(31)36)19-12-6-7-16(26)18(27)14(12)9-37-17-5-3-2-4-13(17)19/h2-8,11,19,35H,9-10H2,1H3/t11-,19+/m1/s1
PDB

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n/an/an/an/a 5.60n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346992
PNG
(US10202379, Reference Example 762)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(Cl)c23)n2cc(Cl)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18Cl2F3N3O3S/c1-12(24(27,28)29)30-11-32(31-9-16(26)21(33)22(34)20(31)23(30)35)19-14-6-2-3-8-17(14)36-10-13-5-4-7-15(25)18(13)19/h2-9,12,19,34H,10-11H2,1H3/t12-,19-/m1/s1
PDB

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n/an/an/an/a 5.90n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346931
PNG
(US10202379, Reference Example 619)
Show SMILES C[C@@H](N1CN([C@H]2c3ccc(F)cc3CSc3c(Br)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18BrF4N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-18(33)21(34)20(31)23(30)35)19-15-6-5-14(26)9-13(15)10-36-22-16(19)3-2-4-17(22)25/h2-9,12,19,34H,10-11H2,1H3/t12-,19+/m1/s1
PDB

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n/an/an/an/a 6n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346945
PNG
(US10202379, Reference Example 640)
Show SMILES C[C@@H](N1CN(C2c3ccc(F)cc3CCc3cc(F)ccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H20F5N3O3/c1-13(25(28,29)30)31-12-33(32-9-8-20(34)23(35)22(32)24(31)36)21-18-6-4-16(26)10-14(18)2-3-15-11-17(27)5-7-19(15)21/h4-11,13,21,35H,2-3,12H2,1H3/t13-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346980
PNG
(US10202379, Reference Example 720 | US10202379, Re...)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(C)c3SCc3cccc(C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H24F3N3O3S/c1-14-6-4-8-17-12-36-24-15(2)7-5-9-18(24)21(20(14)17)32-13-30(16(3)26(27,28)29)25(35)22-23(34)19(33)10-11-31(22)32/h4-11,16,21,34H,12-13H2,1-3H3/t16-,21-/m1/s1
PDB

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n/an/an/an/a 6.24n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346983
PNG
(US10202379, Reference Example 724)
Show SMILES CCc1cccc2CSc3c(F)cccc3[C@@H](N3CN([C@H](C)C(F)(F)F)C(=O)c4c(O)c(=O)ccn34)c12 |r|
Show InChI InChI=1S/C26H23F4N3O3S/c1-3-15-6-4-7-16-12-37-24-17(8-5-9-18(24)27)21(20(15)16)33-13-31(14(2)26(28,29)30)25(36)22-23(35)19(34)10-11-32(22)33/h4-11,14,21,35H,3,12-13H2,1-2H3/t14-,21-/m1/s1
PDB

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n/an/an/an/a 6.33n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346977
PNG
(US10202379, Reference Example 712)
Show SMILES C[C@@H](N1CN([C@H]2c3ccccc3CSc3ccccc23)n2cc(CO)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F3N3O4S/c1-14(25(26,27)28)29-13-31(30-10-16(11-32)22(33)23(34)21(30)24(29)35)20-17-7-3-2-6-15(17)12-36-19-9-5-4-8-18(19)20/h2-10,14,20,32,34H,11-13H2,1H3/t14-,20+/m1/s1
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n/an/an/an/a 6.45n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346974
PNG
(US10202379, Reference Example 709)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)c(F)ccc23)n2cc(B(O)O)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19BF5N3O5S/c1-11(24(28,29)30)31-10-33(32-8-15(25(37)38)21(34)22(35)20(32)23(31)36)19-12-6-7-16(26)18(27)14(12)9-39-17-5-3-2-4-13(17)19/h2-8,11,19,35,37-38H,9-10H2,1H3/t11-,19+/m1/s1
PDB

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n/an/an/an/a 7.09n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346971
PNG
(US10202379, Reference Example 706)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)c(F)ccc23)n2cc(C(C)=O)c(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H20F5N3O4S/c1-12(35)16-9-33-22(24(37)23(16)36)25(38)32(13(2)26(29,30)31)11-34(33)21-14-7-8-18(27)20(28)17(14)10-39-19-6-4-3-5-15(19)21/h3-9,13,21,37H,10-11H2,1-2H3/t13-,21+/m1/s1
PDB

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n/an/an/an/a 7.19n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346967
PNG
(US10202379, Reference Example 686)
Show SMILES C[C@@H](N1CN(C2c3ccccc3CCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H21ClF3N3O3/c1-14(25(27,28)29)30-13-32(31-12-11-19(33)23(34)22(31)24(30)35)21-17-7-3-2-5-15(17)9-10-16-6-4-8-18(26)20(16)21/h2-8,11-12,14,21,34H,9-10,13H2,1H3/t14-,21?/m1/s1
PDB

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n/an/an/an/a 7.86n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346922
PNG
(US10202379, Reference Example 601)
Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(Cl)c3SCc3cccc(F)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-17(33)21(34)20(31)23(30)35)19-14-5-3-6-15(25)22(14)36-10-13-4-2-7-16(26)18(13)19/h2-9,12,19,34H,10-11H2,1H3/t12-,19-/m1/s1
PDB

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n/an/an/an/a 8n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))		BDBM346823
PNG
(US10202379, Reference Example 448)
Show SMILES C[C@@H](N1CN([C@H]2c3ccccc3CSc3ccc(F)cc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F4N3O3S/c1-13(24(26,27)28)29-12-31(30-9-8-18(32)22(33)21(30)23(29)34)20-16-5-3-2-4-14(16)11-35-19-7-6-15(25)10-17(19)20/h2-10,13,20,33H,11-12H2,1H3/t13-,20+/m1/s1
PDB

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n/an/an/an/a 8n/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...

US Patent US10202379 (2019)


BindingDB Entry DOI: 10.7270/Q2XK8HP2
More data for this
Ligand-Target Pair
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