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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'buchholz' and Initial = 'cr'   
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

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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 72n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582040
PNG
(CHEMBL5083660)
Show SMILES CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(C)cc(C)c2)n1
PDB

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TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
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
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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
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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

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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

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
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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50527819
PNG
(CHEMBL4557050 | US11117865, Compound ZL0516)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
Show InChI InChI=1S/C27H34N2O6/c1-17-10-19(23-14-22(31)26-24(33-5)12-21(32-4)13-25(26)35-23)11-18(2)27(17)34-16-20(30)15-29-8-6-28(3)7-9-29/h10-14,20,30H,6-9,15-16H2,1-5H3/t20-/m1/s1
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TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
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

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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582037
PNG
(CHEMBL5094520)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Br)ccc2Br)n1
PDB

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


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
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

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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582041
PNG
(CHEMBL5080584)
Show SMILES CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(Br)ccc2Br)n1
PDB

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n/an/a 856n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582039
PNG
(CHEMBL5080097)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCN(CCN)CC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 940n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
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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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
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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582031
PNG
(CHEMBL5089426)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Br)cc(Br)c2)n1
PDB

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n/an/a 980n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582040
PNG
(CHEMBL5083660)
Show SMILES CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(C)cc(C)c2)n1
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582041
PNG
(CHEMBL5080584)
Show SMILES CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(Br)ccc2Br)n1
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582027
PNG
(CHEMBL5088065)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(cc(c2)C2CC2)C2CC2)n1
PDB

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n/an/a 1.42E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582023
PNG
(CHEMBL5075276)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C)cc(Br)c2)n1
PDB

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n/an/a 1.43E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582024
PNG
(CHEMBL5069903)
Show SMILES CCc1cc(CC)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
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
MMDB

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PDB
Article
PubMed
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)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582016
PNG
(CHEMBL5077946)
Show SMILES CCc1cc(C)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

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n/an/a 1.57E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582030
PNG
(CHEMBL5089274)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Cl)cc(Cl)c2)n1
PDB

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UniProtKB/SwissProt

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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582017
PNG
(CHEMBL5076270)
Show SMILES CCCCc1cc(C)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

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UniProtKB/SwissProt

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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582031
PNG
(CHEMBL5089426)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Br)cc(Br)c2)n1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582023
PNG
(CHEMBL5075276)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C)cc(Br)c2)n1
PDB

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n/an/a 2.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582025
PNG
(CHEMBL5082857)
Show SMILES CCCc1cc(CCC)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

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UniProtKB/SwissProt

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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582022
PNG
(CHEMBL5093335)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C)cc(c2)-c2ccccc2)n1
PDB

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UniProtKB/SwissProt

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n/an/a 2.78E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50517172
PNG
(CHEMBL4552460)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C21H25N5O/c1-14-11-15(2)13-18(12-14)27-20-6-4-5-19(23-20)21-16(3)24-25-26(21)17-7-9-22-10-8-17/h4-6,11-13,17,22H,7-10H2,1-3H3
PDB

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n/an/a 2.88E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582037
PNG
(CHEMBL5094520)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Br)ccc2Br)n1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 3.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
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
MMDB

KEGG

UniProtKB/SwissProt

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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582019
PNG
(CHEMBL5080763)
Show SMILES CC(C)Cc1cc(C)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 3.21E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582018
PNG
(CHEMBL5084581)
Show SMILES CC(C)c1cc(C)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 3.23E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582020
PNG
(CHEMBL5087835)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C)cc(c2)C2CCCC2)n1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 3.55E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582016
PNG
(CHEMBL5077946)
Show SMILES CCc1cc(C)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 4.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582021
PNG
(CHEMBL5093415)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C)cc(c2)C2CCCCC2)n1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 4.75E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50517172
PNG
(CHEMBL4552460)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C21H25N5O/c1-14-11-15(2)13-18(12-14)27-20-6-4-5-19(23-20)21-16(3)24-25-26(21)17-7-9-22-10-8-17/h4-6,11-13,17,22H,7-10H2,1-3H3
PDB

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n/an/a 4.93E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582030
PNG
(CHEMBL5089274)
Show SMILES Cc1nnn(C2CCNCC2)c1-c1cccc(Oc2cc(Cl)cc(Cl)c2)n1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 5.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582038
PNG
(CHEMBL5088967)
Show SMILES CC(C)c1ccc(C)c(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 5.97E+3n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50582024
PNG
(CHEMBL5069903)
Show SMILES CCc1cc(CC)cc(Oc2cccc(n2)-c2c(C)nnn2C2CCNCC2)c1
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 6.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to BRD4 BD2 (unknown origin) by fluorescence anisotropy method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00933
BindingDB Entry DOI: 10.7270/Q2PR80VN
More data for this
Ligand-Target Pair
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