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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 2' and Ligand = 'BDBM313791'   
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 2


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 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 2


(Homo sapiens (Human))
BDBM313791
PNG
(US10167292, Example 35)
Show SMILES C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24ClN5O/c1-17(19-6-4-3-5-7-19)28-26(33)20-8-13-23-24(16-20)31(22-11-9-21(27)10-12-22)14-15-32-25(23)18(2)29-30-32/h3-13,16-17H,14-15H2,1-2H3,(H,28,33)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged Brd2 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