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SMILES COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1ccc(Br)cc1C

InChI Key InChIKey=YUNQZQREIHWDQT-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50148549   

TargetBromodomain-containing protein 1(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMpH: 7.4 T: 2°CAssay Description:Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMpH: 7.4 T: 2°CAssay Description:Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HM56MXPubMed
TargetPeregrin(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 270nMpH: 7.4 T: 2°CAssay Description:Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...More data for this Ligand-Target Pair
TargetTranscription intermediary factor 1-alpha(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMpH: 7.4 T: 2°CAssay Description:Assays were performed as described previously with minor modifications(Philpott et al., 2011). All reagents were diluted in 25 mM HEPES, 100 mM NaCl,...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HM56MXPubMed
TargetPeregrin(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 270nMAssay Description:Inhibition of BRPF1B (unknown origin) by Alpha Screen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 1(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assayMore data for this Ligand-Target Pair
TargetPeregrin(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 282nMAssay Description:Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assayMore data for this Ligand-Target Pair
TargetBromodomain and PHD finger-containing protein 3(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataKd:  2.40E+3nMAssay Description:Binding affinity to BRPF3 (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2X92D6HPubMed
TargetBromodomain-containing protein 1(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataKd:  500nMAssay Description:Binding affinity to BRPF2 (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 1(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 1.68E+3nMAssay Description:Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 1(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 128nMAssay Description:Alphascreen assay. Binding to BRD1A (domain start/stop: E556-A688) by alphascreen assayMore data for this Ligand-Target Pair
TargetPeregrin(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataIC50: 383nMAssay Description:Alphascreen assay. Binding to BRPF1B (domain start/stop: M626-G740) by alphascreen assayMore data for this Ligand-Target Pair
TargetPeregrin(Homo sapiens (Human))
Oxford University

LigandPNGBDBM50148549(4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-ox...)copy SMILEScopy InChI
Affinity DataKd:  100nMAssay Description:Binding affinity to BRPF1B (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair