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Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'zahid' and Initial = 'h'   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584413
PNG
(CHEMBL5084290)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00300
BindingDB Entry DOI: 10.7270/Q20R9TCG
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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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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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
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
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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
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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))
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 3


(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<80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD3 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584414
PNG
(CHEMBL5087797)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCN(CCN(C)C)CC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584418
PNG
(CHEMBL5082732)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@H]2CCN(CCN(C)C)C2)-c2ccc(cc2)C(F)(F)F)c1 |r|
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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584393
PNG
(CHEMBL5085236)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584400
PNG
(CHEMBL5075050)
Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584412
PNG
(CHEMBL5085224)
Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCN(CCN(C)C)CC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584403
PNG
(CHEMBL5078890)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
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
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
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
Inhibition of BRD4 D2 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(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
Inhibition of BRD3 D2 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584408
PNG
(CHEMBL5086716)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@H]2CCN(CCN)C2)-c2ccc(I)cc2)c1 |r|
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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584399
PNG
(CHEMBL5089270)
Show SMILES CC(C)(C)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584416
PNG
(CHEMBL5090760)
Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@H]2CCN(CCN(C)C)C2)-c2ccc(cc2)C(F)(F)F)c1 |r|
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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(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
Inhibition of BRD2 D2 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(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
Inhibition of BRDT D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
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
Bromodomain-containing protein 2


(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 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD2 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
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)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584395
PNG
(CHEMBL5088918)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584392
PNG
(CHEMBL5081513)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(Br)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584393
PNG
(CHEMBL5085236)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584398
PNG
(CHEMBL5079869)
Show SMILES CCc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
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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Article
PubMed
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
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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)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584410
PNG
(CHEMBL5082969)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@@H]2CCN(CCN)C2)-c2ccc(I)cc2)c1 |r|
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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584402
PNG
(CHEMBL5087306)
Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2


(Homo sapiens (Human))
BDBM50584413
PNG
(CHEMBL5084290)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 280n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00300
BindingDB Entry DOI: 10.7270/Q20R9TCG
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
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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)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584413
PNG
(CHEMBL5084290)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584390
PNG
(CHEMBL5085763)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
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)
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584411
PNG
(CHEMBL5084552)
Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 360n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
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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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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n/an/a 380n/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))
BDBM50584401
PNG
(CHEMBL5091410)
Show SMILES Clc1cc(Cl)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584420
PNG
(CHEMBL5079566)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@@H]2CCN(CCN(C)C)C2)-c2ccc(cc2)C(F)(F)F)c1 |r|
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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584392
PNG
(CHEMBL5081513)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(Br)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584397
PNG
(CHEMBL5080722)
Show SMILES Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
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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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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584391
PNG
(CHEMBL5085543)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(Cl)cc2)c1
PDB

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TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584390
PNG
(CHEMBL5085763)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(cc2)C(F)(F)F)c1
PDB

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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BRD4 D1 (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01779
BindingDB Entry DOI: 10.7270/Q28056H6
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
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
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