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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 209483   
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 [44-168]/Histone H4


(Homo sapiens (Human))
BDBM209483
PNG
(US10328074, Example III-24 | US11077107, Example I...)
Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r|
Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 uM start concentration) in white OptiPlate-384 (PerkinElme...


US Patent US9266891 (2016)


BindingDB Entry DOI: 10.7270/Q23X85G7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))
BDBM209483
PNG
(US10328074, Example III-24 | US11077107, Example I...)
Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r|
Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 μM start concentration) in white OptiPlate-384 (Perki...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PV6PHQ
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4 [42-168]


(Homo sapiens (Human))
BDBM209483
PNG
(US10328074, Example III-24 | US11077107, Example I...)
Show SMILES Cc1nnc2c(N[C@@H]3CCOC3)nc(cn12)-c1nc2cnc(cc2n1Cc1ccccn1)N1CCOCC1 |r|
Show InChI InChI=1S/C26H28N10O2/c1-17-32-33-26-24(29-19-5-9-38-16-19)30-21(15-35(17)26)25-31-20-13-28-23(34-7-10-37-11-8-34)12-22(20)36(25)14-18-4-2-3-6-27-18/h2-4,6,12-13,15,19H,5,7-11,14,16H2,1H3,(H,29,30)/t19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Duquesne University



Assay Description
This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...


Bioorg Med Chem 17: 7324-36 (2009)


BindingDB Entry DOI: 10.7270/Q20Z75M2
More data for this
Ligand-Target Pair