BDBM27770 N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl)amino]methyl}benzamide::US9096559, 62::biphenyl diamine analogue, 18
SMILES: CN(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1)c1ccncc1
InChI Key: InChIKey=DANMZYPKFBATPO-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM27770 (N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.38E+3 | n/a | n/a | n/a | n/a | n/a | 25 |
Merck Research Laboratories | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM27770 (N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Corp. US Patent | Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou... | US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM27770 (N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 8.0 | 37 |
Merck Research Laboratories | Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc... | Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM | |||||||||||
More data for this Ligand-Target Pair |