null

SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12

InChI Key InChIKey=RBUYFHLQNPJMQM-UHFFFAOYSA-N

PDB links: 3 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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50183448   

TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  0.75nMAssay Description:Binding affinity to human BRD9 isoform 1 by BROMOScan analysisMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 9 [133-239](Homo sapiens (Human))TBA
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 55nMMore data for this Ligand-Target Pair
In DepthDetails
TargetBromodomain-containing protein 7(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 117nMAssay Description:Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human N-terminal GST-tagged BRD2-BD1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScr...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human N-terminal GST-tagged BRD4-BD2 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScr...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human N-terminal GST-tagged BRD4-BD1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScr...More data for this Ligand-Target Pair
TargetActivin receptor type-1(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 5.13E+3nMAssay Description:Inhibition of ACVR1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 3.85E+3nMAssay Description:Inhibition of TGFBR1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetActivin receptor type-2B(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of ACVR2B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetBromodomain-containing protein 9(Mus musculus)
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataEC50:  275nMAssay Description:Inhibition of BRD9 in mouse RN2 cells assessed as decrease in cell proliferation by cell titer glow assayMore data for this Ligand-Target Pair
TargetCytochrome P450 2C8(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes in presence of NADPH using amodiaquine as substrate measured within 2.5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes in presence of NADPH using diclofenac as substrate measured within 2.5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes in presence of NADPH using mephenytoin as substrate measured within 2.5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of NADPH using midazolam as substrate measured within 2.5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes in presence of NADPH using dextromethorphan as substrate measured within 2.5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 19nMAssay Description:Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...More data for this Ligand-Target Pair
TargetChromatin remodeling regulator CECR2(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  8.80nMAssay Description:Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by BROMOScan analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetChromatin remodeling regulator CECR2(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  187nMAssay Description:Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human BRD4-BD1 by alpha assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to human BRD4 isoform long, bromodomain 1 by BROMOScan analysisMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd: >2.00E+4nMAssay Description:Binding affinity to human BRD4-BD1 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC methodMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 7(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 117nMAssay Description:Inhibition of human BRD7 measured after mins by AlphaScreen assayMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 7(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  0.300nMAssay Description:Binding affinity to human BRD7 by BROMOScan analysisMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd: >1.00E+4nMAssay Description:Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by SYPRO orange dye based differential scanning fluorimetryMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  9.40nMAssay Description:Binding affinity to recombinant human His-tagged BRD9 (134 to 239 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 7(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  121nMAssay Description:Binding affinity to recombinant human His-tagged BRD7 (129 to 250 residues) expressed in Escherichia coli BL21 DE3 assessed as dissociation constant ...More data for this Ligand-Target Pair
TargetBromodomain-containing protein 7(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  0.316nMAssay Description:Binding affinity to BRD7 (unknown origin)More data for this Ligand-Target Pair
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  0.794nMAssay Description:Binding affinity to BRD9 (unknown origin)More data for this Ligand-Target Pair
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataKd:  15nMAssay Description:Binding affinity to human BRD9 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC methodMore data for this Ligand-Target Pair