Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM103538'   

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))	BDBM103538 (US10201527, Compound 8 | US10736881, Compound 8 | ...) Show SMILES OCC(O)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O4/c25-14-17(26)13-24-19-9-6-16(8-11-21(27)23-28)12-18(19)22-20(24)10-7-15-4-2-1-3-5-15/h1-6,8-9,11-12,17,25-26,28H,7,10,13-14H2,(H,23,27)/b11-8+	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	286	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))	BDBM103538 (US10201527, Compound 8 | US10736881, Compound 8 | ...) Show SMILES OCC(O)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O4/c25-14-17(26)13-24-19-9-6-16(8-11-21(27)23-28)12-18(19)22-20(24)10-7-15-4-2-1-3-5-15/h1-6,8-9,11-12,17,25-26,28H,7,10,13-14H2,(H,23,27)/b11-8+	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	286	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))	BDBM103538 (US10201527, Compound 8 | US10736881, Compound 8 | ...) Show SMILES OCC(O)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12 Show InChI InChI=1S/C21H23N3O4/c25-14-17(26)13-24-19-9-6-16(8-11-21(27)23-28)12-18(19)22-20(24)10-7-15-4-2-1-3-5-15/h1-6,8-9,11-12,17,25-26,28H,7,10,13-14H2,(H,23,27)/b11-8+	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	286	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