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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50015244   
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))
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
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 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
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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))
BDBM50584403
PNG
(CHEMBL5078890)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
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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))
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))
BDBM50584393
PNG
(CHEMBL5085236)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(I)cc2)c1
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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))
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 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 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 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-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 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))
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))
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
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))
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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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))
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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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))
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
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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n/an/a 430n/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 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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n/an/a 440n/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
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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n/an/a 440n/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 4


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

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n/an/a 500n/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 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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n/an/a 610n/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 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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584417
PNG
(CHEMBL5092030)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@H]2CCNC2)-c2ccc(cc2)C(F)(F)F)c1 |r|
PDB

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n/an/a 880n/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 4


(Homo sapiens (Human))
BDBM50584415
PNG
(CHEMBL5075239)
Show SMILES CCc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@H]2CCNC2)-c2ccc(cc2)C(F)(F)F)c1 |r|
PDB

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n/an/a 1.10E+3n/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 4


(Homo sapiens (Human))
BDBM50584407
PNG
(CHEMBL5092296)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@H]2CCNC2)-c2ccc(I)cc2)c1 |r|
PDB

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n/an/a 1.10E+3n/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 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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n/an/a 1.30E+3n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584409
PNG
(CHEMBL5088397)
Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2[C@@H]2CCNC2)-c2ccc(I)cc2)c1 |r|
PDB

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n/an/a 1.90E+3n/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 4


(Homo sapiens (Human))
BDBM50584405
PNG
(CHEMBL5088844)
Show SMILES COc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(I)cc1
PDB

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n/an/a 2.40E+3n/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 4


(Homo sapiens (Human))
BDBM50584396
PNG
(CHEMBL5085815)
Show SMILES Ic1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2)n1
PDB

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n/an/a 2.40E+3n/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 4


(Homo sapiens (Human))
BDBM50584406
PNG
(CHEMBL5079170)
Show SMILES Ic1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc3OCOc3c2)n1
PDB

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n/an/a 2.70E+3n/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 4


(Homo sapiens (Human))
BDBM50584404
PNG
(CHEMBL5078369)
Show SMILES Oc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(I)cc1
PDB

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n/an/a 3.00E+3n/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 4


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
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n/an/a 3.80E+3n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584419
PNG
(CHEMBL5089289)
Show SMILES CC(C)c1ccc(C)c(Oc2nccc(n2)-c2c(ncn2[C@@H]2CCNC2)-c2ccc(cc2)C(F)(F)F)c1 |r|
PDB

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n/an/a 3.80E+3n/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 4


(Homo sapiens (Human))
BDBM50584394
PNG
(CHEMBL5085512)
Show SMILES COc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
PDB

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n/an/a 3.90E+3n/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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50584394
PNG
(CHEMBL5085512)
Show SMILES COc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
PDB

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n/an/a 9.40E+3n/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 4


(Homo sapiens (Human))
BDBM50503388
PNG
(CHEMBL4521096)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
PDB

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n/an/a 1.10E+4n/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 3


(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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n/an/a<5.00E+4n/an/an/an/an/an/a


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 3


(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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n/an/a<5.00E+4n/an/an/an/an/an/a


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 2


(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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n/an/a<5.00E+4n/an/an/an/an/an/a


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-containing protein 2


(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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n/an/a<5.00E+4n/an/an/an/an/an/a


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
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