Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50248524'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248524 (3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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) BindingDB Entry DOI: 10.7270/Q2PN98P2
					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...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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