BDBM205431 (6S+2S)-PEG1 (7)

SMILES COC(=O)C[C@@H]1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI Key InChIKey=FZWPGKYEENZFAU-CONSDPRKSA-N

Data  13 KI  2 IC50  6 Kd  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 205431   

TargetBromodomain-containing protein 3 [306-416](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.00270nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [333-460](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.00430nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2 [348-455](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.00690nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsoform C of Bromodomain-containing protein 4 (Short)(Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.00780nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2 [71-194,348-455](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.0100nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [44-168,333-460](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.0120nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 2 [71-194](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.0140nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein [251-382](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.0660nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 3 [24-144,306-416](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.110nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 3 [24-144](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.130nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [44-168](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.180nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein [21-137](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.290nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein [21-137,251-382](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKi:  0.420nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [333-460](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKd:  0.0240nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [44-168,333-460](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKd:  0.00470nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [44-168](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKd:  16.7nMpH: 7.4Assay Description:ITC experiments were carried out on anAuto-ITC200 titration microcalorimeter (Malvern Instruments). All experimentswere carried out at 25 °C while st...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein [21-137,251-382](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKd:  0.0390nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [44-168](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataIC50:  0.758nMpH: 7.5 T: 2°CAssay Description:Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain testis-specific protein [21-137](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataIC50:  0.574nMpH: 7.5 T: 2°CAssay Description:Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [44-168](Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKd:  0.0100nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsoform C of Bromodomain-containing protein 4 (Short)(Homo sapiens (Human))
Dana-Farber Cancer Institute

LigandPNGBDBM205431((6S+2S)-PEG1 (7))
Affinity DataKd:  0.0130nMAssay Description:Refer to DiscoverXMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 205431   

CellBromodomain-containing protein 4 (BRD4)(Homo sapiens (Human))
Dana-Farber Cancer Institute

SyringePNGBDBM205431((6S+2S)-PEG1 (7))
ITC DataΔG°: -10.6kcal/mole −TΔS°: -0.733kcal/mole ΔH°: -9.88kcal/mole logk: 6.11E+7
T: 25.00°C 
Syringe InfoPC cidPC sid
In DepthDetails ArticlePubMed