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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'dos santos' and Initial = 'co'   
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
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573200
PNG
(CHEMBL4861491)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573201
PNG
(CHEMBL4848701)
Show SMILES CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
PDB
MMDB

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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
MMDB

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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573198
PNG
(CHEMBL4848138)
Show SMILES CN(C)CCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
PDB
MMDB

KEGG

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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50234940
PNG
(CHEMBL4101756)
Show SMILES Cn1ncc(Nc2ccccc2CN)c(Cl)c1=O
Show InChI InChI=1S/C12H13ClN4O/c1-17-12(18)11(13)10(7-15-17)16-9-5-3-2-4-8(9)6-14/h2-5,7,16H,6,14H2,1H3
PDB
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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573192
PNG
(CHEMBL4850516)
Show SMILES Cn1ncc(Nc2ccc3CNCCc3c2)c(Cl)c1=O
PDB
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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573190
PNG
(CHEMBL4866748)
Show SMILES Cn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
PDB
MMDB

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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573191
PNG
(CHEMBL4870218)
Show SMILES CN(C)Cc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
PDB
MMDB

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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573193
PNG
(CHEMBL4848082)
Show SMILES Cn1ncc(Nc2ccc3CCNCc3c2)c(Cl)c1=O
PDB
MMDB

KEGG

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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573203
PNG
(CHEMBL4863631)
Show SMILES NCc1ccc(Nc2cnn(CC#N)c(=O)c2Cl)cc1
PDB
MMDB

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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573202
PNG
(CHEMBL4877696)
Show SMILES CCn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573188
PNG
(CHEMBL4850913)
Show SMILES Cn1ncc(Nc2ccc(F)cc2)c(Cl)c1=O
PDB
MMDB

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TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573204
PNG
(CHEMBL4863529)
Show SMILES CC(C)n1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 790n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573195
PNG
(CHEMBL4855881)
Show SMILES Cn1ncc(Nc2cccc(CN)c2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50234924
PNG
(CHEMBL4065579)
Show SMILES Cn1ncc(Nc2ccccc2)c(Cl)c1=O
Show InChI InChI=1S/C11H10ClN3O/c1-15-11(16)10(12)9(7-13-15)14-8-5-3-2-4-6-8/h2-7,14H,1H3
PDB
MMDB

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n/an/a 950n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573196
PNG
(CHEMBL4877118)
Show SMILES CC(=O)NCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
PDB
MMDB

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n/an/a 970n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50234923
PNG
(CHEMBL4069412)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1cnn(C)c(=O)c1Br |r|
Show InChI InChI=1S/C17H21BrN4O/c1-21-10-13(12-6-4-3-5-7-12)8-14(11-21)20-15-9-19-22(2)17(23)16(15)18/h3-7,9,13-14,20H,8,10-11H2,1-2H3/t13-,14+/m0/s1
PDB
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573187
PNG
(CHEMBL4861822)
Show SMILES Cn1ncc(Nc2ccc(N)cc2)c(Cl)c1=O
PDB
MMDB

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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573194
PNG
(CHEMBL4858548)
Show SMILES Cn1ncc(Nc2ccc3CCCCc3c2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 3.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573186
PNG
(CHEMBL4872107)
Show SMILES Cn1ncc(NC2CCCCNC2)c(Cl)c1=O
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 7.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573185
PNG
(CHEMBL4853420)
Show SMILES Cn1ncc(NC2CNC2)c(Cl)c1=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 8.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573199
PNG
(CHEMBL4849136)
Show SMILES CN(C)CCNc1c(Cl)cnn(C)c1=O
PDB
MMDB

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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573183
PNG
(CHEMBL4867912)
Show SMILES Cn1ncc(N[C@@H]2CCNC2)c(Cl)c1=O |r|
PDB
MMDB

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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573189
PNG
(CHEMBL4857332)
Show SMILES Cn1ncc(NCc2cccc(N)c2)c(Cl)c1=O
PDB
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n/an/a 1.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50234944
PNG
(CHEMBL4072538 | US10239861, Example 60)
Show SMILES CN1CCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl |r|
Show InChI InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

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n/an/a 3.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573184
PNG
(CHEMBL4871852)
Show SMILES Cn1ncc(N[C@H]2CCNC2)c(Cl)c1=O |r|
PDB
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n/an/a 3.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573202
PNG
(CHEMBL4877696)
Show SMILES CCn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
PDB

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n/an/a 3.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573190
PNG
(CHEMBL4866748)
Show SMILES Cn1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
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n/an/a 4.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573203
PNG
(CHEMBL4863631)
Show SMILES NCc1ccc(Nc2cnn(CC#N)c(=O)c2Cl)cc1
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n/an/a 7.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HIS9-tagged BRD4 (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by AlphaScreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50573201
PNG
(CHEMBL4848701)
Show SMILES CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
PDB

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n/an/an/a 230n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD9 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50573200
PNG
(CHEMBL4861491)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O
PDB

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n/an/an/a 0.240n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD9 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

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n/an/an/a 0.470n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD9 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
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n/an/an/a 0.760n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD7 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Chromatin remodeling regulator CECR2


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
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n/an/an/a 11n/an/an/an/an/a


TBA

Assay Description
Binding affinity to CECR2 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

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n/an/an/a 44n/an/an/an/an/a


TBA

Assay Description
Binding affinity to GCN5L2 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50573203
PNG
(CHEMBL4863631)
Show SMILES NCc1ccc(Nc2cnn(CC#N)c(=O)c2Cl)cc1
PDB
MMDB

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n/an/an/a 300n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PCAF (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50573201
PNG
(CHEMBL4848701)
Show SMILES CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
PDB
MMDB

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n/an/an/a 370n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PCAF (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50573200
PNG
(CHEMBL4861491)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O
PDB
MMDB

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n/an/an/a 14n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PCAF (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
MMDB

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n/an/an/a 12n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PCAF (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573203
PNG
(CHEMBL4863631)
Show SMILES NCc1ccc(Nc2cnn(CC#N)c(=O)c2Cl)cc1
PDB
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n/an/an/a 200n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573201
PNG
(CHEMBL4848701)
Show SMILES CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
PDB
MMDB

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n/an/an/a 70n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573200
PNG
(CHEMBL4861491)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O
PDB
MMDB

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n/an/an/a 9.30n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB
MMDB

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n/an/an/a 6.30n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50573197
PNG
(CHEMBL4872300)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O
PDB

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PubMed
n/an/an/a 2.20E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD1 (unknown origin) by BROMOscan method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50157526
PNG
(CHEMBL586426 | D3RKN_107 | TCMDC-133606)
Show SMILES COC(=O)c1cccc(NC(=O)NC2CCN(C2)c2ccnc(Nc3ccc(F)cc3)n2)c1
Show InChI InChI=1S/C23H23FN6O3/c1-33-21(31)15-3-2-4-18(13-15)27-23(32)28-19-10-12-30(14-19)20-9-11-25-22(29-20)26-17-7-5-16(24)6-8-17/h2-9,11,13,19H,10,12,14H2,1H3,(H,25,26,29)(H2,27,28,32)
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Article
PubMed
n/an/an/a 2.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5FW-labeled BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by BODIPY-BI2536 tracer ba...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50514899
PNG
(CHEMBL4461619)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cc(NCCCn2cccn2)nc(n1)S(C)(=O)=O
Show InChI InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26)
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n/an/an/a 1.20E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5FW-labeled BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by BODIPY-BI2536 tracer ba...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01294
BindingDB Entry DOI: 10.7270/Q2HM5D7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)