BDBM50092318 CHEMBL3581657::US9675697, Cpd. No. 2

SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c21

InChI Key InChIKey=XJIIOIPLGWEZJR-UHFFFAOYSA-N

Data  10 KI  4 IC50

  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 12 hits for monomerid = 50092318   

TargetBromodomain-containing protein 2 [364-436](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  42.3nM ΔG°:  -10.1kcal/mole IC50:  286nMpH: 7.5 T: 2°CAssay Description:The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 3 [326-398](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  49nM ΔG°:  -9.97kcal/moleT: 2°CAssay Description:Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 2 [364-436](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  90nM ΔG°:  -9.61kcal/moleT: 2°CAssay Description:Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 4 [368-440](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  114nM ΔG°:  -9.47kcal/mole IC50:  608nMpH: 7.5 T: 2°CAssay Description:The FAM labeled fluorescent probe (BRD-1F) was synthesized based on a known small-molecule BET bromodomain inhibitor. Kd values of BRD-1F to these th...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 2 [91-163](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  138nM ΔG°:  -9.35kcal/moleT: 2°CAssay Description:Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 3 [51-123](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  151nM ΔG°:  -9.30kcal/moleT: 2°CAssay Description:Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 2 [364-436](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  201nM ΔG°:  -9.13kcal/moleT: 2°CAssay Description:Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  201nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  247nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4 [75-147](Homo sapiens (Human))
The Regents of The University of Michigan

US Patent
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataKi:  247nM ΔG°:  -9.01kcal/moleT: 2°CAssay Description:Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataIC50:  658nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD2 (333 to 460 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50092318(CHEMBL3581657 | US9675697, Cpd. No. 2)
Affinity DataIC50:  702nMAssay Description:Displacement of FAM-labeled ZBA248 from BRD4 BD1 (44 to 168 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed