Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM103596'   

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))	BDBM103596 (US10201527, Compound 90 | US10736881, Compound 90 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)cnc2c1 Show InChI InChI=1S/C17H22N4O2/c22-17(19-23)7-5-14-4-6-16-15(12-14)18-13-21(16)11-10-20-8-2-1-3-9-20/h4-7,12-13,23H,1-3,8-11H2,(H,19,22)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	166	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))	BDBM103596 (US10201527, Compound 90 | US10736881, Compound 90 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)cnc2c1 Show InChI InChI=1S/C17H22N4O2/c22-17(19-23)7-5-14-4-6-16-15(12-14)18-13-21(16)11-10-20-8-2-1-3-9-20/h4-7,12-13,23H,1-3,8-11H2,(H,19,22)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	166	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))	BDBM103596 (US10201527, Compound 90 | US10736881, Compound 90 ...) Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)cnc2c1 Show InChI InChI=1S/C17H22N4O2/c22-17(19-23)7-5-14-4-6-16-15(12-14)18-13-21(16)11-10-20-8-2-1-3-9-20/h4-7,12-13,23H,1-3,8-11H2,(H,19,22)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	166	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