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

InChI Key InChIKey=SDJOVLUEILKTJF-UHFFFAOYSA-N

  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 10 hits for monomerid = 50092316   

TargetBromodomain-containing protein 3 [51-123](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataKi:  38nM ΔG°:  -10.1kcal/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
BindingDB Entry DOI: 10.7270/Q2CC0XV6US Patent
TargetBromodomain-containing protein 3 [326-398](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataKi:  51nM ΔG°:  -9.94kcal/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
BindingDB Entry DOI: 10.7270/Q2CC0XV6US Patent
TargetBromodomain-containing protein 2 [91-163](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2CC0XV6US Patent
TargetBromodomain-containing protein 2 [364-436](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataKi:  92nM ΔG°:  -9.59kcal/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
BindingDB Entry DOI: 10.7270/Q2CC0XV6US Patent
TargetBromodomain-containing protein 4 [75-147](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataKi:  116nM ΔG°:  -9.45kcal/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
BindingDB Entry DOI: 10.7270/Q2CC0XV6US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataKi:  116nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2XD13FKPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataKi:  134nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2XD13FKPubMed
TargetBromodomain-containing protein 2 [364-436](Homo sapiens (Human))
THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataKi:  134nM ΔG°:  -9.37kcal/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
BindingDB Entry DOI: 10.7270/Q2CC0XV6US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataIC50: 327nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2XD13FKPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50092316(CHEMBL3581658 | US9675697, Cpd. No. 24)copy SMILEScopy InChI
Affinity DataIC50: 481nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2XD13FKPubMed