null
SMILES: COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O
InChI Key: InChIKey=NPKQOBAGAPKRFP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL | Assay Description Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assay | Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 927 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. US Patent | Assay Description Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (... | US Patent US9776990 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. US Patent | US Patent US9776990 (2017) BindingDB Entry DOI: 10.7270/Q2ZS2ZPJ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM342610 (US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
AbbVie Inc., Oncology Discovery, 1 North Waukegan Rd., North Chicago, IL 60064, USA. Curated by ChEMBL | Assay Description Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass... | Bioorg Med Chem Lett 27: 2225-2233 (2017) Article DOI: 10.1016/j.bmcl.2017.02.057 BindingDB Entry DOI: 10.7270/Q20P12FJ | |||||||||||
More data for this Ligand-Target Pair |