Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM338959'   

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))	BDBM338959 (US10201527, Compound 54 | US10736881, Compound 54) Show SMILES Cn1c(CNC(=O)Cc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C20H20N4O3/c1-24-17-9-7-15(8-10-19(25)23-27)11-16(17)22-18(24)13-21-20(26)12-14-5-3-2-4-6-14/h2-11,27H,12-13H2,1H3,(H,21,26)(H,23,25)/b10-8+	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	100	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))	BDBM338959 (US10201527, Compound 54 | US10736881, Compound 54) Show SMILES Cn1c(CNC(=O)Cc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C20H20N4O3/c1-24-17-9-7-15(8-10-19(25)23-27)11-16(17)22-18(24)13-21-20(26)12-14-5-3-2-4-6-14/h2-11,27H,12-13H2,1H3,(H,21,26)(H,23,25)/b10-8+	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	100	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