BDBM321448 3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethyl-benzamide::US10183009, Example 8
SMILES: CN(C)C(=O)c1cccc(c1)-c1cn(CCC=C)c(=O)c2[nH]ccc12
InChI Key: InChIKey=VNCNIMOILJQAGJ-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CECR2 (aa 424-538) (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS, INC. US Patent | Assay Description His/Flag epitope tagged TAF1-BD21504-1635 was cloned, expressed, and purified to homogeneity. TAF1-BD2 binding and inhibition was assessed by monitor... | US Patent US10183009 (2019) BindingDB Entry DOI: 10.7270/Q2125VRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 9 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay | J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 10 mins by TR-FRET assay | J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CREB-binding protein (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged CBP (unknown origin) after 10 mins by TR-FRET assay | J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay | J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bromodomain-containing protein 9 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-FRET assay | J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cat eye syndrome critical region protein 2 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-FRET assay | J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CREB-binding protein (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Displacement of biotinylated JQ1 analog from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CREB-binding protein (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Displacement of biotinylated JQ1 analog from recombinant His-tagged CBP (unknown origin) incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bromodomain-containing protein 9 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Displacement of biotinylated JQ1 analog from recombinant His-tagged BRD9 (unknown origin) incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cat eye syndrome critical region protein 2 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged TAF1 isoform-2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Peregrin (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Displacement of biotinylated JQ1 analog from recombinant His-tagged BRPF1 (unknown origin) incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged TAF1 isoform-1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cat eye syndrome critical region protein 2 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged CECR2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peregrin (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Displacement of biotinylated JQ1 analog from recombinant His-tagged BRPF1 (unknown origin) incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain2 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged TAF1 isoform-1 (unknown origin) using biotinylated ligand incubated for 10 mins by TR-FRET assay | J Med Chem 59: 5391-402 (2016) Article DOI: 10.1021/acs.jmedchem.6b00264 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM321448![]() (3-(6-but-3-enyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-y...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc. Curated by ChEMBL | Assay Description Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 10 mins by TR-FRET assay | J Med Chem 61: 9301-9315 (2018) Article DOI: 10.1021/acs.jmedchem.8b01225 | |||||||||||
More data for this Ligand-Target Pair |