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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 3' and Ligand = 'BDBM50441168'   
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))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD3 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair