BDBM220431 US10633379, Compound Z::US9296741, 20
SMILES: Cn1cc(-c2cc(CO)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChI Key: InChIKey=SFDROCHFRBBUBF-UHFFFAOYSA-N
Data: 4 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 (BRD4)(aa 352-457) (Homo sapiens (Human)) | BDBM220431 (US10633379, Compound Z | US9296741, 20) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.680 | -12.5 | n/a | n/a | n/a | n/a | n/a | 6.0 | 25 |
AbbVie Inc. US Patent | Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta... | US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (BRD4)(aa 57-168) (Homo sapiens (Human)) | BDBM220431 (US10633379, Compound Z | US9296741, 20) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 10.9 | -10.9 | n/a | n/a | n/a | n/a | n/a | 6.0 | 25 |
AbbVie Inc. US Patent | Assay Description A time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used to determine the affinities of compounds of the Examples listed in Ta... | US Patent US9296741 (2016) BindingDB Entry DOI: 10.7270/Q26W98ZQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bromodomain-containing protein 4 (BRD4)(aa 352-457) (Homo sapiens (Human)) | BDBM220431 (US10633379, Compound Z | US9296741, 20) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 15.5 | 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)) | BDBM220431 (US10633379, Compound Z | US9296741, 20) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 69.9 | 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 |