BDBM50183448 CHEMBL3823478
SMILES: COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
InChI Key: InChIKey=RBUYFHLQNPJMQM-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 |
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Bromodomain-containing protein 9 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Binding affinity to human BRD9 isoform 1 by BROMOScan analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Bromodomain-containing protein 7 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Binding affinity to human BRD7 by BROMOScan analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 7 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Inhibition of human N-terminal GST-tagged BRD7 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by AlphaScreen ... | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 2 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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... | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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... | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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... | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Inhibition of ACVR1 (unknown origin) | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
TGF-beta receptor type I (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Inhibition of TGFBR1 (unknown origin) | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-2B (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Inhibition of ACVR2B (unknown origin) | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 9 (Mus musculus) | BDBM50183448![]() (CHEMBL3823478) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 275 | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Inhibition of BRD9 in mouse RN2 cells assessed as decrease in cell proliferation by cell titer glow assay | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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 analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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 analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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 analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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 analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (2D6) (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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 analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 9 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay 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... | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cat eye syndrome critical region protein 2 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by BROMOScan analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cat eye syndrome critical region protein 2 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Binding affinity to human CECR2 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Inhibition of human BRD4-BD1 by alpha assay | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Binding affinity to human BRD4 isoform long, bromodomain 1 by BROMOScan analysis | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Binding affinity to human BRD4-BD1 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 7 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Inhibition of human BRD7 measured after mins by AlphaScreen assay | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 9 (Homo sapiens (Human)) | BDBM50183448![]() (CHEMBL3823478) | PDB KEGG UniProtKB/SwissProt GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim RCV GmbH& Co KG Curated by ChEMBL | Assay Description Binding affinity to human BRD9 expressed in Escherichia coli L21(DE3)-R3-pRARE2 cells by VP-ITC method | J Med Chem 59: 4462-75 (2016) Article DOI: 10.1021/acs.jmedchem.5b01865 BindingDB Entry DOI: 10.7270/Q27H1MJZ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |