BDBM50183449 CHEMBL3823101::US11773085, Compound B23

SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12

InChI Key InChIKey=BJFSUDWKXGMUKA-UHFFFAOYSA-N

Data  16 IC50  13 Kd

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50183449   

TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  14nMAssay 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
TargetBromodomain-containing protein 9 [133-239](Homo sapiens (Human))
Foghorn Therapeutics

US Patent
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  55nMAssay Description:A mixture of biotinylated-ligand and SureLight Allophycocyanin-Streptavidin (APC-SA, PerkinElmer AD0201) in 50 mM HEPES (pH 7.4), 50 mM NaCl, 1 mM TC...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBromodomain-containing protein 2(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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 ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  5.09E+3nMAssay Description:Inhibition of ACVR1 (unknown origin)More data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  5.14E+3nMAssay Description:Inhibition of TGFBR1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetActivin receptor type-2B(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  7.68E+3nMAssay Description:Inhibition of ACVR2B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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 ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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 ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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 ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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 ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  4.90E+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 ArticlePubMed
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  75nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  77nMAssay 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 ArticlePubMed
TargetChromatin remodeling regulator CECR2(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  200nMAssay 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 ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  3.41E+3nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  73nMAssay Description:Binding affinity to human BRD7 by BROMOScan analysisMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 7(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  239nMAssay Description:Binding affinity to human BRD7 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC methodMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  5.90nMAssay Description:Binding affinity to human BRD9 isoform 1 by BROMOScan analysisMore data for this Ligand-Target Pair
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  47nMAssay 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

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  418nMAssay 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 4(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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 7(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  79nMAssay Description:Binding affinity to BRD7 (unknown origin)More data for this Ligand-Target Pair
TargetBromodomain-containing protein 9(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataKd:  6.30nMAssay Description:Binding affinity to BRD9 (unknown origin)More data for this Ligand-Target Pair
TargetBromodomain-containing protein 7(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
Affinity DataIC50:  3.41E+3nMAssay 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