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Found 7 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 (BRD4)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (BRD4)


(Homo sapiens (Human))
BDBM188520
PNG
(ISOX-DUAL)
Show SMILES CN(C)CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C31H41N5O3/c1-23-31(24(2)39-33-23)26-9-12-29-28(22-26)32-30(36(29)16-15-35-17-20-37-21-18-35)13-8-25-6-10-27(11-7-25)38-19-5-14-34(3)4/h6-7,9-12,22H,5,8,13-21H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The assay used a Cy5 dye-labeled BRD inhibitor PFI-411FP. The synthesis of the probe and the procedure for the assay was reported recently (Hett et a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM188516
PNG
(BDOIA383)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C27H32N4O3/c1-19-27(20(2)34-29-19)22-7-10-25-24(18-22)28-26(11-6-21-4-8-23(32-3)9-5-21)31(25)13-12-30-14-16-33-17-15-30/h4-5,7-10,18H,6,11-17H2,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Pfizer



Assay Description
The assay used a Cy5 dye-labeled BRD inhibitor PFI-411FP. The synthesis of the probe and the procedure for the assay was reported recently (Hett et a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM188517
PNG
(PF-CBP1)
Show SMILES CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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PubMed
n/an/a 1.81E+4n/an/an/an/an/an/a



Pfizer



Assay Description
The assay used a Cy5 dye-labeled BRD inhibitor PFI-411FP. The synthesis of the probe and the procedure for the assay was reported recently (Hett et a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM188518
PNG
(ISOX-INACT)
Show SMILES COc1ccc(CCc2nc3c(C)c(-c4c(C)noc4C)c(C)cc3n2CCN2CCOCC2)cc1
Show InChI InChI=1S/C29H36N4O3/c1-19-18-25-29(20(2)27(19)28-21(3)31-36-22(28)4)30-26(11-8-23-6-9-24(34-5)10-7-23)33(25)13-12-32-14-16-35-17-15-32/h6-7,9-10,18H,8,11-17H2,1-5H3
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n/an/a>1.20E+5n/an/an/an/an/an/a



Pfizer



Assay Description
The assay used a Cy5 dye-labeled BRD inhibitor PFI-411FP. The synthesis of the probe and the procedure for the assay was reported recently (Hett et a...


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM188519
PNG
(SGC-CBP30)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl
Show InChI InChI=1/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/s2
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n/an/an/a 850n/an/an/an/an/a



Pfizer



Assay Description
Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM188516
PNG
(BDOIA383)
Show SMILES COc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C27H32N4O3/c1-19-27(20(2)34-29-19)22-7-10-25-24(18-22)28-26(11-6-21-4-8-23(32-3)9-5-21)31(25)13-12-30-14-16-33-17-15-30/h4-5,7-10,18H,6,11-17H2,1-3H3
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PC sid
PDB
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Article
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n/an/an/a 780n/an/an/an/an/a



Pfizer



Assay Description
Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bromodomain-containing protein 4 (BRD4)


(Homo sapiens (Human))
BDBM188517
PNG
(PF-CBP1)
Show SMILES CCCOc1ccc(CCc2nc3cc(ccc3n2CCN2CCOCC2)-c2c(C)noc2C)cc1
Show InChI InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a>2.00E+4n/an/an/an/an/a



Pfizer



Assay Description
Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015).


Citation and Details
More data for this
Ligand-Target Pair