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Compile Data Set for Download or QSAR

Found 36 hits of kd 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))		BDBM50539801
PNG
(CHEMBL4648912 | US11840533, Compound 70)
Show SMILES CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
Show InChI InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37)
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n/an/an/a<1n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOscan assay

J Med Chem 63: 7186-7210 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00456
BindingDB Entry DOI: 10.7270/Q2PK0KPP
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
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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
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50573200
PNG
(CHEMBL4861491)
Show SMILES Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O
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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))		BDBM50573201
PNG
(CHEMBL4848701)
Show SMILES CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
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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))		BDBM50573852
PNG
(CHEMBL4780673)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nc3ccc(cn3c(=O)c2C)-c2cnn(c2)C2CC2)c(F)c1
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n/an/an/a 71n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin)

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|
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n/an/an/a 71n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by BLI 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))		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 120n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin)

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))		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 200n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by SPR analysis

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))		BDBM50573203
PNG
(CHEMBL4863631)
Show SMILES NCc1ccc(Nc2cnn(CC#N)c(=O)c2Cl)cc1
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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))		BDBM50584925
PNG
(CHEMBL5079885)
Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|
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n/an/an/a<316n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human FALZ bromodomain by BROMOscan method

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01871
BindingDB Entry DOI: 10.7270/Q2280CH8
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50571297
PNG
(CHEMBL4846718)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1nc2CCCc2c(=O)n1C |r|
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n/an/an/a 428n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by isothermal titration calorimetry

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))		BDBM50512964
PNG
(CHEMBL4574669)
Show SMILES CN1C[C@@H](C[C@@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C |r|
Show InChI InChI=1S/C21H25N5O3/c1-25-11-14(13-3-4-17-18(10-13)29-8-7-28-17)9-15(12-25)23-21-24-16-5-6-22-19(16)20(27)26(21)2/h3-6,10,14-15,22H,7-9,11-12H2,1-2H3,(H,23,24)/t14-,15+/m0/s1
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n/an/an/a 917n/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal His-tagged FALZ by isothermal titration calorimetry

J Med Chem 62: 4526-4542 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00096
BindingDB Entry DOI: 10.7270/Q2862KS8
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/an/a 1.70E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by SPR analysis

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))		BDBM50573851
PNG
(CHEMBL4872422)
Show SMILES CCOC(=O)NC1=CC(=NC2C(C)=NN=C12)c1ccc(C)c(NS(C)(=O)=O)c1 |c:8,12,t:6,14|
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n/an/an/a 1.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human BPTF by isothermal titration calorimetry

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))		BDBM50504160
PNG
(CHEMBL3133807 | US11773085, Compound B25)
Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)
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n/an/an/a 1.89E+3n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to BAZ2B (unknown origin) by isothermal titration calorimetric analysis

Sci Adv 2: (2016)


BindingDB Entry DOI: 10.7270/Q24J0JPZ
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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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))		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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n/an/an/a 2.80E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to BPTF (unknown origin) by isothermal titration calorimetric analysis

J Med Chem 59: 1271-98 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01514
BindingDB Entry DOI: 10.7270/Q2X92D6H
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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n/an/an/a 2.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by isothermal titration calorimetry

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))		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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n/an/an/a 2.80E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5FW-labelled BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by 19F-NMR spectra

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))		BDBM50573836
PNG
(CHEMBL4861375)
Show SMILES CNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2[nH]ccc2c1
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n/an/an/a 2.81E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by SPR 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))		BDBM179481
PNG
(US9675697, Cpd. No. 73)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30)
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n/an/an/a>4.00E+3n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOscan assay

J Med Chem 60: 3887-3901 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00193
BindingDB Entry DOI: 10.7270/Q28W3GWN
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50366670
PNG
(CHEMBL4173488)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
Show InChI InChI=1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
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n/an/an/a>5.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOScan assay

J Med Chem 61: 6110-6120 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00483
BindingDB Entry DOI: 10.7270/Q26M39B1
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|
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n/an/an/a 6.00E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by SPR analysis

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))		BDBM249277
PNG
(US10017501, Compound 1020-18 | US9458145, 1020-18)
Show SMILES Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
Show InChI InChI=1S/C25H22N4O/c1-13-6-9-20-18(5-4-10-26-20)22(13)19-11-17(23-14(2)29-30-15(23)3)12-21-24(19)28-25(27-21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,27,28)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system after 1 hr by bromoscan assay

Bioorg Med Chem 27: 457-469 (2019)


Article DOI: 10.1016/j.bmc.2018.11.020
BindingDB Entry DOI: 10.7270/Q2HD7ZZ6
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50453949
PNG
(CHEMBL4208820 | US11247989, Example 87)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
Show InChI InChI=1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37)
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n/an/an/a>1.00E+4n/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human partial length FALZ (S2791 to H2911 residues) expressed in bacterial expression system by BROMOscan assay

Bioorg Med Chem Lett 28: 15-23 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.025
BindingDB Entry DOI: 10.7270/Q2ZG6VVZ
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
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n/an/an/a 1.79E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin)

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))		BDBM50573844
PNG
(CHEMBL4873042)
Show SMILES CN(C)CCCn1ccc2cc(ccc12)-c1nc(nc2[nH]ccc12)S(C)(=O)=O
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n/an/an/a 2.07E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by SPR 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))		BDBM50455480
PNG
(CHEMBL4218735)
Show SMILES CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
Show InChI InChI=1S/C26H31N3O2/c1-18(31)29-24-9-8-21(19-10-12-27-13-11-19)14-25(24)28(16-26(29)20-6-7-20)15-22-4-2-3-5-23(22)17-30/h2-5,8-10,14,20,26-27,30H,6-7,11-13,15-17H2,1H3/t26-/m1/s1
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n/an/an/a<3.02E+4n/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Binding affinity to human partial length DNA-tagged FALZ isoform1 expressed in bacteria by BROMOscan method

J Med Chem 61: 4317-4334 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01666
BindingDB Entry DOI: 10.7270/Q27H1N6W
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50571299
PNG
(CHEMBL4858897)
Show SMILES CN(C)CCCNc1cc(NCc2ccco2)c2noc3-c4ccccc4C(=O)c1c23
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n/an/an/a 3.55E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to BPTF (unknown origin) by BLI 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))		BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/an/a 3.70E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5FW-labelled BPTF (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by 19F-NMR spectra

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))		BDBM50573840
PNG
(CHEMBL4860578)
Show SMILES CCCNc1cc(nc(n1)S(C)(=O)=O)-c1ccc2n(CCCN(C)C)ccc2c1
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n/an/an/a 4.96E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal GST-tagged human BPTF (2914 to 3037 residues) expressed in Escherichia coli BL21-CodonPlus (DE3) cells by SPR 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))		BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
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n/an/an/a<1.00E+5n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BPTF in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay

J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
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n/an/an/a<1.00E+5n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BPTF in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay

J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
More data for this
Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50098250
PNG
(CHEMBL3590389)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12 |r|
Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
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n/an/an/a<1.00E+5n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to BPTF in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay

J Med Chem 58: 6151-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00773
BindingDB Entry DOI: 10.7270/Q2FN17Z1
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)
Nucleosome-remodeling factor subunit BPTF


(Homo sapiens (Human))		BDBM50239563
PNG
(CHEMBL4095390)
Show SMILES CCn1c(N)cc(=O)[nH]c1=O
Show InChI InChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
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n/an/an/a 6.80E+6n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity to 5FW-labeled BPTF (unknown origin) by PrOF NMR spectroscopic analysis

J Med Chem 60: 4805-4817 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01336
BindingDB Entry DOI: 10.7270/Q2PC34JK
More data for this
Ligand-Target Pair