Found 4 hits Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bromodomain-containing protein 4
(126/127 > 99%)†
(Homo sapiens (Human)) | BDBM188519
(SGC-CBP30)Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl Show InChI InChI=1S/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-/m0/s1 | PDB
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PC sid
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| PDB
Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Displacement of biotinylated ligand from BRD4 bromodomain-1 (unknown origin) by TR-FRET assay |
J Med Chem 59: 10549-10563 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bromodomain-containing protein 4
(126/127 > 99%)†
(Homo sapiens (Human)) | BDBM188519
(SGC-CBP30)Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl Show InChI InChI=1S/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-/m0/s1 | PDB
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PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of human BRD4 by fluorescence polarization assay |
J Med Chem 60: 5349-5363 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01839
BindingDB Entry DOI: 10.7270/Q2B85BCF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(126/127 > 99%)†
(Homo sapiens (Human)) | BDBM188519
(SGC-CBP30)Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl Show InChI InChI=1S/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-/m0/s1 | PDB
Reactome pathway
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PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Medical University
Curated by ChEMBL
| Assay Description
Inhibition of biotinylated-H4KAc4 binding to human His6-tagged BRD4 bromodomain-1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) afte... |
Eur J Med Chem 147: 238-252 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.087
BindingDB Entry DOI: 10.7270/Q2NZ8B5K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bromodomain-containing protein 4
(126/127 > 99%)†
(Homo sapiens (Human)) | BDBM188519
(SGC-CBP30)Show SMILES COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl Show InChI InChI=1S/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-/m0/s1 | PDB
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PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
| Assay Description
Experiments were performed using recombinant CBP and BRD4 bromodomainsusing the procedure reported recently (Hett et al., 2015). |
Chem Biol 22: 1588-96 (2015)
Article DOI: 10.1016/j.chembiol.2015.10.013
BindingDB Entry DOI: 10.7270/Q2V69HC0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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