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Compile Data Set for Download or QSAR

Found 730 hits with Last Name = 'poy' and Initial = 'f'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50542055
PNG
(CHEMBL4636118 | US11274090, Example 22 Isomer 2)
Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Show InChI InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...

ACS Med Chem Lett 11: 1324-1329 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00155
BindingDB Entry DOI: 10.7270/Q2NV9NT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50542060
PNG
(CHEMBL4641354 | US11274090, Example 33 Isomer 2)
Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...

ACS Med Chem Lett 11: 1324-1329 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00155
BindingDB Entry DOI: 10.7270/Q2NV9NT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))		BDBM50466393
PNG
(CHEMBL4277499)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]cnc34)c(F)c2)c1=O
Show InChI InChI=1S/C24H15F2N5O3/c25-14-3-6-16(7-4-14)31-11-1-2-17(24(31)33)23(32)30-15-5-8-19(18(26)12-15)34-20-9-10-27-22-21(20)28-13-29-22/h1-13H,(H,30,32)(H,27,28,29)
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PSL Research University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human Axl (473 to end residues) cytoplasmic domain expressed in insect system using poly (Glu-Ala-Tyr) peptide a...

Bioorg Med Chem 26: 5510-5530 (2018)


Article DOI: 10.1016/j.bmc.2018.09.031
BindingDB Entry DOI: 10.7270/Q27S7RGR
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50542046
PNG
(CHEMBL4633516 | US11414384, Example 84 Isomer 2)
Show SMILES Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C29H25N5O/c1-34-19-24(17-33-34)23-11-12-25-26(18-32-27(25)15-23)29(35)28(22-5-3-2-4-6-22)31-14-13-20-7-9-21(16-30)10-8-20/h2-12,15,17-19,28,31-32H,13-14H2,1H3/t28-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length EP300 (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by ...

ACS Med Chem Lett 11: 1324-1329 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00155
BindingDB Entry DOI: 10.7270/Q2NV9NT5
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50542060
PNG
(CHEMBL4641354 | US11274090, Example 33 Isomer 2)
Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by sc...

ACS Med Chem Lett 11: 1324-1329 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00155
BindingDB Entry DOI: 10.7270/Q2NV9NT5
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRDT BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))		BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRDT BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD4 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bromodomain-containing protein 2


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD2 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD2 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))		BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD3 BD1 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
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TBA

Assay Description
Inhibition of BRD3 BD2 (unknown origin) using biotinylated JQ1 analog as substrate measured after 20 mins by AlphaLISA assay

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair
CREB-binding protein


(Homo sapiens (Human))		BDBM50542046
PNG
(CHEMBL4633516 | US11414384, Example 84 Isomer 2)
Show SMILES Cn1cc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)[C@H](NCCc1ccc(cc1)C#N)c1ccccc1 |r|
Show InChI InChI=1S/C29H25N5O/c1-34-19-24(17-33-34)23-11-12-25-26(18-32-27(25)15-23)29(35)28(22-5-3-2-4-6-22)31-14-13-20-7-9-21(16-30)10-8-20/h2-12,15,17-19,28,31-32H,13-14H2,1H3/t28-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by sc...

ACS Med Chem Lett 11: 1324-1329 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00155
BindingDB Entry DOI: 10.7270/Q2NV9NT5
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
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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))		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
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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))		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
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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))		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
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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
CREB-binding protein


(Homo sapiens (Human))		BDBM50542055
PNG
(CHEMBL4636118 | US11274090, Example 22 Isomer 2)
Show SMILES Cn1cc(cn1)-c1ccc(NC(=O)[C@H](NCCc2ccc(cc2)C#N)c2ccccc2)nc1 |r|
Show InChI InChI=1S/C26H24N6O/c1-32-18-23(17-30-32)22-11-12-24(29-16-22)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-20(15-27)10-8-19/h2-12,16-18,25,28H,13-14H2,1H3,(H,29,31,33)/t25-/m1/s1
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Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full length CBP (unknown origin) incubated for 30 mins followed by H3(1 to 21) addition and measured after 1 hr by sc...

ACS Med Chem Lett 11: 1324-1329 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00155
BindingDB Entry DOI: 10.7270/Q2NV9NT5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50613465
PNG
(CHEMBL5271336)		PDB

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TBA



Citation and Details
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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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
Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50542060
PNG
(CHEMBL4641354 | US11274090, Example 33 Isomer 2)
Show SMILES C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Constellation Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His-tagged EP300 HAT domain (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli incubat...

ACS Med Chem Lett 11: 1324-1329 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00155
BindingDB Entry DOI: 10.7270/Q2NV9NT5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein polybromo-1


(Homo sapiens (Human))		BDBM394583
PNG
(2-(6-amino-5-phenylpyridazin-3-yl)phenol | US10308...)
Show SMILES Nc1nnc(cc1-c1ccccc1)-c1ccccc1O
Show InChI InChI=1S/C16H13N3O/c17-16-13(11-6-2-1-3-7-11)10-14(18-19-16)12-8-4-5-9-15(12)20/h1-10,20H,(H2,17,19)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00662
BindingDB Entry DOI: 10.7270/Q2TB1BX4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))		BDBM50466394
PNG
(CHEMBL4285809)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3c(Br)cnc4[nH]cnc34)c(F)c2)c1=O
Show InChI InChI=1S/C24H14BrF2N5O3/c25-17-11-28-22-20(29-12-30-22)21(17)35-19-8-5-14(10-18(19)27)31-23(33)16-2-1-9-32(24(16)34)15-6-3-13(26)4-7-15/h1-12H,(H,31,33)(H,28,29,30)
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n/an/a 9n/an/an/an/an/an/a



PSL Research University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human Mer (578 to 872 residues) cytoplasmic domain expressed in Baculovirus system using poly (Glu-Ala-Tyr) pept...

Bioorg Med Chem 26: 5510-5530 (2018)


Article DOI: 10.1016/j.bmc.2018.09.031
BindingDB Entry DOI: 10.7270/Q27S7RGR
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))		BDBM50200375
PNG
(CHEMBL3902514)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(c1)-c1ccccc1)nn2CC1CC1
Show InChI InChI=1S/C24H26N4O/c1-17(29)27-13-12-23-22(16-27)24(26-28(23)15-18-10-11-18)25-21-9-5-8-20(14-21)19-6-3-2-4-7-19/h2-9,14,18H,10-13,15-16H2,1H3,(H,25,26)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay

J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
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))		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
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50533317
PNG
(CHEMBL4538785)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C14H11N5O2/c1-2-10-12(8-3-4-11(20)16-6-8)18-13-9(5-15)7-17-19(13)14(10)21/h3-4,6-7,18H,2H2,1H3,(H,16,20)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50533317
PNG
(CHEMBL4538785)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C14H11N5O2/c1-2-10-12(8-3-4-11(20)16-6-8)18-13-9(5-15)7-17-19(13)14(10)21/h3-4,6-7,18H,2H2,1H3,(H,16,20)
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50613466
PNG
(CHEMBL5283924)		PDB

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TBA



Citation and Details
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
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50533308
PNG
(CHEMBL4444632)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1cccnc1
Show InChI InChI=1S/C14H11N5O/c1-2-11-12(9-4-3-5-16-7-9)18-13-10(6-15)8-17-19(13)14(11)20/h3-5,7-8,18H,2H2,1H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
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
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50613463
PNG
(CHEMBL5277826)		PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50533308
PNG
(CHEMBL4444632)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1cccnc1
Show InChI InChI=1S/C14H11N5O/c1-2-11-12(9-4-3-5-16-7-9)18-13-10(6-15)8-17-19(13)14(11)20/h3-5,7-8,18H,2H2,1H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))		BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))		BDBM195608
PNG
(CPI-455)
Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50533309
PNG
(CHEMBL4464860)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C15H12N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h3-7,9,18H,2H2,1H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))		BDBM50533309
PNG
(CHEMBL4464860)
Show SMILES CCc1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1
Show InChI InChI=1S/C15H12N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h3-7,9,18H,2H2,1H3
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Constellation Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay

Bioorg Med Chem Lett 26: 4350-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.026
BindingDB Entry DOI: 10.7270/Q2MW2MNW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50558065
PNG
(CHEMBL4780530)
Show SMILES C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
PDB

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PDB
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His/FLAG-tagged BRD4 BD1 (unknown origin) using histone H4-TetraAcetylated-biotin peptide as substrate incubated for 20 mins by AlphaLI...

Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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n/an/a 15n/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))		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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n/an/a 16n/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))		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))		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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n/an/a 16n/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))		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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n/an/a 16n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))		BDBM50613464
PNG
(CHEMBL5278351)		PDB

KEGG

UniProtKB/SwissProt

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TBA



Citation and Details
More data for this
Ligand-Target Pair
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