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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50093453   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50093453
PNG
(CHEMBL3586706)
Show SMILES Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O
Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(22-17(21-14)19-6-9-4-2-1-3-5-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of I-BET762 from 6His-Thr-BRD4 (1 to 477) BD1 (unknown origin) harboring BD2 Y390A mutant after 30 mins by TR-FRET analysis


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50093453
PNG
(CHEMBL3586706)
Show SMILES Cc1cc2ccnc(NCCC3CCCNC3)c2[nH]c1=O
Show InChI InChI=1S/C17H20N6O4/c18-14-11-15(22-17(21-14)19-6-9-4-2-1-3-5-9)23(8-20-11)16-13(26)12(25)10(7-24)27-16/h1-5,8,10,12-13,16,24-26H,6-7H2,(H3,18,19,21,22)/t10?,12-,13-,16?/m0/s1
PDB
MMDB

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PC cid
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UniChem

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Article
PubMed
n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair