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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' and Ligand = 'BDBM50466254'   
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 3


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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PC sid
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n/an/an/a 20n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 1/2 (P24 to P416 residues) expressed in Escher...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 21n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 1 (P24 to E144 residues) expressed in Escheric...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50466254
PNG
(CHEMBL4288569)
Show SMILES CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H34ClN7O/c1-34(2)11-12-36-13-15-37(16-14-36)29-32-26-9-7-22(23-8-10-27(38)35(3)20-23)18-25(26)28(33-29)31-19-21-5-4-6-24(30)17-21/h4-10,17-18,20H,11-16,19H2,1-3H3,(H,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 21n/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Displacement of biotinylated acetylated peptide from recombinant human partial length BRD3 bromodomain 2 (G306 to P416 residues) expressed in Escheri...


Bioorg Med Chem Lett 28: 3483-3488 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.039
BindingDB Entry DOI: 10.7270/Q28S4SKP
More data for this
Ligand-Target Pair