Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM245'   

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))	BDBM245 (US10201527, Compound 71 | US10736881, Compound 71 ...) Show SMILES CCn1c(CCNS(=O)(=O)c2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C20H22N4O4S/c1-2-24-18-10-8-15(9-11-20(25)23-26)14-17(18)22-19(24)12-13-21-29(27,28)16-6-4-3-5-7-16/h3-11,14,21,26H,2,12-13H2,1H3,(H,23,25)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	167	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))	BDBM245 (US10201527, Compound 71 | US10736881, Compound 71 ...) Show SMILES CCn1c(CCNS(=O)(=O)c2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C20H22N4O4S/c1-2-24-18-10-8-15(9-11-20(25)23-26)14-17(18)22-19(24)12-13-21-29(27,28)16-6-4-3-5-7-16/h3-11,14,21,26H,2,12-13H2,1H3,(H,23,25)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	167	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))	BDBM245 (US10201527, Compound 71 | US10736881, Compound 71 ...) Show SMILES CCn1c(CCNS(=O)(=O)c2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C20H22N4O4S/c1-2-24-18-10-8-15(9-11-20(25)23-26)14-17(18)22-19(24)12-13-21-29(27,28)16-6-4-3-5-7-16/h3-11,14,21,26H,2,12-13H2,1H3,(H,23,25)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	167	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