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Compile Data Set for Download or QSAR

Found 57 hits of ic50 data for polymerid = 50006450,50006540   
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
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50571296
PNG
(CHEMBL4873093)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(NC2=C(C)C(=O)N3C=C(C=CC3N2)c2cnn(c2)C2CC2)c(F)c1 |c:16,22,24|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BPTF in human HEK293 cells by NanoBRET assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573840
PNG
(CHEMBL4860578)
Show SMILES CCCNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCCN(C)C)ccc2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573844
PNG
(CHEMBL4873042)
Show SMILES CN(C)CCCn1ccc2cc(ccc12)-c1nc(nc2[nH]ccc12)S(C)(=O)=O
PDB
MMDB

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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573839
PNG
(CHEMBL4870170)
Show SMILES CCNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCCN(C)C)ccc2c1
PDB
MMDB

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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50571296
PNG
(CHEMBL4873093)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(NC2=C(C)C(=O)N3C=C(C=CC3N2)c2cnn(c2)C2CC2)c(F)c1 |c:16,22,24|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BPTF (unknown origin) by AlphaScreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573837
PNG
(CHEMBL4867072)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCCN(C)C)ccc2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
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

KEGG

UniProtKB/SwissProt

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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))
BDBM50573838
PNG
(CHEMBL4868713)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCN(C)C)ccc2c1
PDB
MMDB

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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
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

KEGG

UniProtKB/SwissProt

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n/an/a 56n/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))
BDBM50573845
PNG
(CHEMBL4851594)
Show SMILES CNc1cc(nc(n1)[S+](C)[O-])-c1ccc2n(CCCN(C)C)ccc2c1
PDB
MMDB

KEGG

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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573849
PNG
(CHEMBL4866637)
Show SMILES CCCNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCCN(C)C)cc(C)c2c1
PDB
MMDB

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n/an/a 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573848
PNG
(CHEMBL4862619)
Show SMILES CCCNc1cc(nc(n1)S(C)(=O)=O)-c1cc(OC)c2n(CCCN(C)C)ccc2c1
PDB
MMDB

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n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
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
AMP deaminase


(Arabidopsis thaliana)
BDBM50004698
PNG
(CHEMBL1160282)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)c1n[nH]c2cncnc12 |r|
Show InChI InChI=1S/C10H13N4O7P/c15-8-5(2-20-22(17,18)19)21-10(9(8)16)7-6-4(13-14-7)1-11-3-12-6/h1,3,5,8-10,15-16H,2H2,(H,13,14)(H2,17,18,19)/t5-,8-,9-,10+/m1/s1
PDB
MMDB

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n/an/a 100n/an/an/an/an/an/a



AgrEvo UK Limited

Curated by ChEMBL


Assay Description
Inhibition of Pisum sativum (pea) adenylate deaminase


Bioorg Med Chem Lett 9: 1985-90 (1999)


BindingDB Entry DOI: 10.7270/Q2WQ0591
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573841
PNG
(CHEMBL4852588)
Show SMILES CCCCNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCCN(C)C)ccc2c1
PDB
MMDB

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n/an/a 114n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573846
PNG
(CHEMBL4853486)
Show SMILES CCCNc1cc(nc(n1)[S+](C)[O-])-c1ccc2n(CCCN(C)C)ccc2c1
PDB
MMDB

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n/an/a 145n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573850
PNG
(CHEMBL4861221)
Show SMILES CN(C)CCCn1cc(C)c2cc(ccc12)-c1nc(nc2[nH]ccc12)S(C)(=O)=O
PDB
MMDB

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TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
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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n/an/a 170n/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))
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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n/an/a 220n/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))
BDBM50573192
PNG
(CHEMBL4850516)
Show SMILES Cn1ncc(Nc2ccc3CNCCc3c2)c(Cl)c1=O
PDB
MMDB

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n/an/a 250n/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))
BDBM50573842
PNG
(CHEMBL4863921)
Show SMILES CCC(C)Nc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCCN(C)C)ccc2c1
PDB
MMDB

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n/an/a 288n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
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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n/an/a 290n/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))
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))
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)
PDB
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TBA

Assay Description
Inhibition of BPTF (unknown origin) by AlphaScreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
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

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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))
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

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UniProtKB/SwissProt

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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))
BDBM50573836
PNG
(CHEMBL4861375)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2[nH]ccc2c1
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n/an/a 698n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573188
PNG
(CHEMBL4850913)
Show SMILES Cn1ncc(Nc2ccc(F)cc2)c(Cl)c1=O
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n/an/a 700n/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))
BDBM50573204
PNG
(CHEMBL4863529)
Show SMILES CC(C)n1ncc(Nc2ccc(CN)cc2)c(Cl)c1=O
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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))
BDBM50573195
PNG
(CHEMBL4855881)
Show SMILES Cn1ncc(Nc2cccc(CN)c2)c(Cl)c1=O
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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
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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))
BDBM50573196
PNG
(CHEMBL4877118)
Show SMILES CC(=O)NCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
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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))
BDBM50157606
PNG
(CHEMBL3785432)
Show SMILES CCCS(=O)(=O)c1nc(NC2CC2)cc(n1)-c1ccc2n(ccc2c1)C1CC(C)(C)NC(C)(C)C1
Show InChI InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)
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n/an/a 1.46E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Alphascreen assay. Binding to FALZA (domain start/stop: S2791-H2911) by alphascreen assay


Medchemcomm 7: 2246-2264 (2016)


Article DOI: 10.1039/c6md00373g
BindingDB Entry DOI: 10.7270/Q2CZ3BRT
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
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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))
BDBM50573835
PNG
(CHEMBL4872350)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1cccc2ncccc12
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573847
PNG
(CHEMBL4872974)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2ccn(CCCN(C)C)c2c1
PDB
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


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

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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
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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))
BDBM50573834
PNG
(CHEMBL4863800)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1ccccc1
PDB
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n/an/a 7.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
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
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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))
BDBM50573183
PNG
(CHEMBL4867912)
Show SMILES Cn1ncc(N[C@@H]2CCNC2)c(Cl)c1=O |r|
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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))
BDBM50573199
PNG
(CHEMBL4849136)
Show SMILES CN(C)CCNc1c(Cl)cnn(C)c1=O
PDB
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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))
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))
BDBM50571298
PNG
(CHEMBL4846726)
Show SMILES CCOc1c(I)cc(cc1OC)C(N)=O
PDB
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n/an/a 1.32E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human recombinant BPTF expressed in Escherichia coli BL21-Codonplus (DE3)-RIPL incubated for 30 mins by HTRF assa...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128208
BindingDB Entry DOI: 10.7270/Q2M0497K
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50573843
PNG
(CHEMBL4875586)
Show SMILES CN(C)CCCn1ccc2cc(ccc12)-c1cc(nc(n1)S(C)(=O)=O)N(C)C
PDB
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n/an/a 1.47E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00721
BindingDB Entry DOI: 10.7270/Q2M61Q27
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(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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n/an/a>1.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BPTF (unknown origin) measured after 70 mins by TR-FRET assay


Citation and Details

Article DOI: 10.1021/ml500411h
BindingDB Entry DOI: 10.7270/Q2DV1PK7
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)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))
BDBM50200385
PNG
(CHEMBL3959584)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
Show InChI InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BPTF (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
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