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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4' and Ligand = 'BDBM313789'   
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))
BDBM313789
PNG
(US10167292, Example 33)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23ClFN5O/c1-16(18-3-8-21(28)9-4-18)29-26(34)19-5-12-23-24(15-19)32(22-10-6-20(27)7-11-22)13-14-33-25(23)17(2)30-31-33/h3-12,15-16H,13-14H2,1-2H3,(H,29,34)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 2 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM313789
PNG
(US10167292, Example 33)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H23ClFN5O/c1-16(18-3-8-21(28)9-4-18)29-26(34)19-5-12-23-24(15-19)32(22-10-6-20(27)7-11-22)13-14-33-25(23)17(2)30-31-33/h3-12,15-16H,13-14H2,1-2H3,(H,29,34)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd4 bromodomain 1 expressed in Escherichia coli BL21 (DE3) preincubated for 30 mins followed by addition of biotinyla...


ACS Med Chem Lett 8: 1298-1303 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00389
BindingDB Entry DOI: 10.7270/Q2JQ13K2
More data for this
Ligand-Target Pair