BDBM50092323 CHEMBL3581656::US9675697, Cpd. No. 21

SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21

InChI Key InChIKey=VVRZMYLMDPVHTL-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 = 50092323   

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

US Patent
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi: <10nM ΔG°: <-10.9kcal/mole IC50:  93nMpH: 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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  26nM ΔG°:  -10.3kcal/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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  32nM ΔG°:  -10.2kcal/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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  38nM ΔG°:  -10.1kcal/mole IC50:  310nMpH: 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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  48nM ΔG°:  -9.98kcal/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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  58nM ΔG°:  -9.87kcal/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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  99nMAssay 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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  99nM ΔG°:  -9.55kcal/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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  100nM ΔG°:  -9.54kcal/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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataKi:  100nMAssay 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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataIC50:  324nMAssay 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
LigandPNGBDBM50092323(CHEMBL3581656 | US9675697, Cpd. No. 21)
Affinity DataIC50:  276nMAssay 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