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Compile Data Set for Download or QSAR

Found 572 hits of ic50 data for polymerid = 50006706   
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
PDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.52n/an/an/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))
BDBM346979
PNG
(US10202379, Reference Example 719)
Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(Cl)cccc23)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(31-9-14(10-33)22(34)23(35)21(31)24(30)36)20-15-6-4-7-18(26)17(15)11-37-19-8-3-2-5-16(19)20/h2-9,13,20,33,35H,10-12H2,1H3/t13-,20+/m1/s1
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 2.60n/an/an/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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UniProtKB/SwissProt

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US Patent
n/an/a 3.36n/an/an/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))
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
PDB

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US Patent
n/an/a 3.67n/an/an/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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UniProtKB/SwissProt

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US Patent
n/an/a 3.74n/an/an/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))
BDBM50503407
PNG
(CHEMBL4440829)
Show SMILES CCOc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C23H26N4O4/c1-3-5-8-27-15-19(17-6-7-24-20(17)23(27)29)16-13-18(21(25-14-16)31-4-2)22(28)26-9-11-30-12-10-26/h3,6-7,13-15,24H,1,4-5,8-12H2,2H3
PDB

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Article
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n/an/a 4n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
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
PDB

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US Patent
n/an/a 5n/an/an/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/a 5n/an/an/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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US Patent
n/an/a 5.07n/an/an/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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UniProtKB/SwissProt

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US Patent
n/an/a 5.22n/an/an/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))
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/a 5.54n/an/an/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))
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
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 5.57n/an/an/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
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 5.76n/an/an/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))
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
PDB

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UniProtKB/SwissProt

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US Patent
n/an/a 5.89n/an/an/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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US Patent
n/an/a 6n/an/an/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))
BDBM50503399
PNG
(CHEMBL4441257)
Show SMILES Clc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22ClN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
PDB

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



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321463
PNG
(6-(but-3-en-1-yl)-4-(3-(difluoromethoxy)-5-(morpho...)
Show SMILES FC(F)Oc1cc(cc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H23F2N3O4/c1-2-3-6-28-14-19(18-4-5-26-20(18)22(28)30)15-11-16(13-17(12-15)32-23(24)25)21(29)27-7-9-31-10-8-27/h2,4-5,11-14,23,26H,1,3,6-10H2
PDB

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



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321467
PNG
(6-but-3-enyl-4-[3-ethyl-7-(morpholine-4-carbonyl)b...)
Show SMILES CCn1cnc2c(cc(cc12)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H27N5O3/c1-3-5-8-30-15-20(18-6-7-26-23(18)25(30)32)17-13-19(24(31)29-9-11-33-12-10-29)22-21(14-17)28(4-2)16-27-22/h3,6-7,13-16,26H,1,4-5,8-12H2,2H3
PDB

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



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
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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US Patent
n/an/a 6.96n/an/an/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))
BDBM50503413
PNG
(CHEMBL4566599)
Show SMILES COc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O4/c1-3-4-7-26-14-18(16-5-6-23-19(16)22(26)28)15-12-17(20(29-2)24-13-15)21(27)25-8-10-30-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
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n/an/a 7n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM346821
PNG
(US10202379, Reference Example 446)
Show SMILES C[C@@H](N1CN([C@H]2c3ccc(Cl)cc3CSc3ccccc23)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)20-16-7-6-15(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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n/an/a 7n/an/an/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
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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))
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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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))
BDBM50503068
PNG
(CHEMBL4483587)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CCOCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C28H38N6O4/c1-18-28(36)33(3)23-7-8-25(31-26(23)34(18)21-11-15-38-16-12-21)30-22-6-5-19(17-24(22)37-4)27(35)29-20-9-13-32(2)14-10-20/h5-8,17-18,20-21H,9-16H2,1-4H3,(H,29,35)(H,30,31)/t18-/m1/s1
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of biotinylated probe from human TAF1 bromodomain 2 (1522 to 1656 residues) expressed in Escherichia coli BL21 (DE3) by alphascreen assa...


ACS Med Chem Lett 10: 1443-1449 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00243
BindingDB Entry DOI: 10.7270/Q28P63T8
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50503404
PNG
(CHEMBL4455513)
Show SMILES Cn1cnc2cc(cc(C(=O)N3CCOCC3)c12)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-21(17)24(29)31)16-12-18(22-20(13-16)26-15-27(22)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321462
PNG
(6-but-3-enyl-4-[4-fluoro-3-(morpholine-4-carbonyl)...)
Show SMILES Fc1ccc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H22FN3O3/c1-2-3-8-26-14-18(16-6-7-24-20(16)22(26)28)15-4-5-19(23)17(13-15)21(27)25-9-11-29-12-10-25/h2,4-7,13-14,24H,1,3,8-12H2
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50503406
PNG
(CHEMBL4463538)
Show SMILES Cn1cnc2c(cc(cc12)C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM321458
PNG
(6-but-3-enyl-4-[3,4-difluoro-5-(morpholine-4-carbo...)
Show SMILES Fc1cc(cc(C(=O)N2CCOCC2)c1F)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H21F2N3O3/c1-2-3-6-27-13-17(15-4-5-25-20(15)22(27)29)14-11-16(19(24)18(23)12-14)21(28)26-7-9-30-10-8-26/h2,4-5,11-13,25H,1,3,6-10H2
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
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
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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))
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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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))
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
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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))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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H. Lee Moffitt Cancer Center and Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TAF1 (D1521 to D1656 residues) expressed in bacterial expression system by BROMOscan assay


J Med Chem 60: 157-169 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00923
BindingDB Entry DOI: 10.7270/Q2TM7DMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50503408
PNG
(CHEMBL4459660)
Show SMILES Cc1ncc(cc1C(=O)N1CCOCC1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H24N4O3/c1-3-4-7-26-14-19(17-5-6-23-20(17)22(26)28)16-12-18(15(2)24-13-16)21(27)25-8-10-29-11-9-25/h3,5-6,12-14,23H,1,4,7-11H2,2H3
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM346816
PNG
(US10202379, Reference Example 433)
Show SMILES C[C@@H](N1CN([C@H]2c3ccc(Br)cc3CSc3ccccc23)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(30-9-8-18(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))
BDBM346744
PNG
(US10202379, Reference Example 347)
Show SMILES CN1CN(C2c3ccccc3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H18ClN3O3S/c1-24-12-26(25-10-9-17(27)20(28)19(25)22(24)29)18-14-6-3-2-5-13(14)11-30-21-15(18)7-4-8-16(21)23/h2-10,18,28H,11-12H2,1H3
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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))
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/a 14.2n/an/an/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))
BDBM321460
PNG
(3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...)
Show SMILES C=CCCn1cc(-c2cc(cc(c2)C(=O)N2CCOCC2)C#N)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H22N4O3/c1-2-3-6-27-15-20(19-4-5-25-21(19)23(27)29)17-11-16(14-24)12-18(13-17)22(28)26-7-9-30-10-8-26/h2,4-5,11-13,15,25H,1,3,6-10H2
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM346866
PNG
(US10202379, Reference Example 509)
Show SMILES CC(C)N1CN(C2c3ccccc3CSc3ccccc23)n2cc(CF)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H24FN3O3S/c1-15(2)27-14-29(28-12-17(11-26)23(30)24(31)22(28)25(27)32)21-18-8-4-3-7-16(18)13-33-20-10-6-5-9-19(20)21/h3-10,12,15,21,31H,11,13-14H2,1-2H3
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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))
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
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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))
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
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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))
BDBM321464
PNG
(6-but-3-enyl-4-[7-(morpholine-4-carbonyl)-3H-benzi...)
Show SMILES C=CCCn1cc(-c2cc(C(=O)N3CCOCC3)c3nc[nH]c3c2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C23H23N5O3/c1-2-3-6-28-13-18(16-4-5-24-21(16)23(28)30)15-11-17(20-19(12-15)25-14-26-20)22(29)27-7-9-31-10-8-27/h2,4-5,11-14,24H,1,3,6-10H2,(H,25,26)
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM321465
PNG
(6-but-3-enyl-4-[3-methyl-7-(morpholine-4-carbonyl)...)
Show SMILES Cn1cnc2c(cc(cc12)-c1cn(CCC=C)c(=O)c2[nH]ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)16-12-18(21-20(13-16)27(2)15-26-21)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50503398
PNG
(CHEMBL4445482)
Show SMILES CCn1cnc2cc(cc(C(=O)N3CCOCC3)c12)-c1cn(CCC=C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C25H27N5O3/c1-3-5-8-30-15-20(18-6-7-26-22(18)25(30)32)17-13-19(24(31)29-9-11-33-12-10-29)23-21(14-17)27-16-28(23)4-2/h3,6-7,13-16,26H,1,4-5,8-12H2,2H3
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50503412
PNG
(CHEMBL4459431)
Show SMILES C=CCCn1cc(-c2cncc(c2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O
Show InChI InChI=1S/C21H22N4O3/c1-2-3-6-25-14-18(17-4-5-23-19(17)21(25)27)15-11-16(13-22-12-15)20(26)24-7-9-28-10-8-24/h2,4-5,11-14,23H,1,3,6-10H2
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Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay


J Med Chem 61: 9301-9315 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01225
BindingDB Entry DOI: 10.7270/Q2NV9NH4
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50503091
PNG
(CHEMBL4589721)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C28H38N6O3/c1-18-28(36)33(3)23-11-12-25(31-26(23)34(18)21-7-5-6-8-21)30-22-10-9-19(17-24(22)37-4)27(35)29-20-13-15-32(2)16-14-20/h9-12,17-18,20-21H,5-8,13-16H2,1-4H3,(H,29,35)(H,30,31)/t18-/m1/s1
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Dana Farber Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of biotinylated probe from human TAF1 bromodomain 2 (1522 to 1656 residues) expressed in Escherichia coli BL21 (DE3) by alphascreen assa...


ACS Med Chem Lett 10: 1443-1449 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00243
BindingDB Entry DOI: 10.7270/Q28P63T8
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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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
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