BDBM50248524 3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide::CHEMBL523601::US10201527, Compound 56::US10736881, Compound 56::US8551988, 56
SMILES: ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1
InChI Key: InChIKey=KLDUYMMXGOVQBM-FMIVXFBMSA-N
Data: 4 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 1 (Homo sapiens (Human)) | BDBM50248524 (3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Mei Pharma, Inc. US Patent | Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay. | US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50248524 (3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
MEI Pharma, Inc. US Patent | Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa... | US Patent US10736881 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50248524 (3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
MEI PHARMA, INC. US Patent | Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa... | US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50248524 (3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd Curated by ChEMBL | Assay Description Inhibition of recombinant HDAC1 by fluorimetric assay | Bioorg Med Chem Lett 19: 1403-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.041 BindingDB Entry DOI: 10.7270/Q2FT8KX3 | |||||||||||
More data for this Ligand-Target Pair |