BDBM439461 US10633379, Example 3::US10633379, Example 68
SMILES: CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(C)(C)O
InChI Key: InChIKey=BRNKGSOZDWZJCS-UHFFFAOYSA-N
Data: 6 KI
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)) | BDBM439461 (US10633379, Example 3 | US10633379, Example 68) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay | J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (BRD4)(aa 352-457) (Homo sapiens (Human)) | BDBM439461 (US10633379, Example 3 | US10633379, Example 68) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 1.10 | 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 an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo... | US Patent US10633379 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (BRD4)(aa 352-457) (Homo sapiens (Human)) | BDBM439461 (US10633379, Example 3 | US10633379, Example 68) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 2.20 | 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 an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo... | US Patent US10633379 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM439461 (US10633379, Example 3 | US10633379, Example 68) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc. Curated by ChEMBL | Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD1 (57 to 168) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay | J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (BRD4)(aa 57-168) (Homo sapiens (Human)) | BDBM439461 (US10633379, Example 3 | US10633379, Example 68) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 341 | 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 an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo... | US Patent US10633379 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (BRD4)(aa 57-168) (Homo sapiens (Human)) | BDBM439461 (US10633379, Example 3 | US10633379, Example 68) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 404 | 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 an approximately 3-fold serial dilution. Compound dilutions were added directly into white, low-vo... | US Patent US10633379 (2020) | |||||||||||
More data for this Ligand-Target Pair |