Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM38237'   

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))	BDBM38237 (CHEMBL491687 | US10201527, Compound 33 | US1073688...) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H23N3O2/c29-25(27-30)16-13-20-11-14-23-22(17-20)26-24(15-12-19-7-3-1-4-8-19)28(23)18-21-9-5-2-6-10-21/h1-11,13-14,16-17,30H,12,15,18H2,(H,27,29)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM38237 (CHEMBL491687 | US10201527, Compound 33 | US1073688...) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H23N3O2/c29-25(27-30)16-13-20-11-14-23-22(17-20)26-24(15-12-19-7-3-1-4-8-19)28(23)18-21-9-5-2-6-10-21/h1-11,13-14,16-17,30H,12,15,18H2,(H,27,29)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	449	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))	BDBM38237 (CHEMBL491687 | US10201527, Compound 33 | US1073688...) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H23N3O2/c29-25(27-30)16-13-20-11-14-23-22(17-20)26-24(15-12-19-7-3-1-4-8-19)28(23)18-21-9-5-2-6-10-21/h1-11,13-14,16-17,30H,12,15,18H2,(H,27,29)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	449	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))	BDBM38237 (CHEMBL491687 | US10201527, Compound 33 | US1073688...) Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)c(CCc3ccccc3)nc2c1 Show InChI InChI=1S/C25H23N3O2/c29-25(27-30)16-13-20-11-14-23-22(17-20)26-24(15-12-19-7-3-1-4-8-19)28(23)18-21-9-5-2-6-10-21/h1-11,13-14,16-17,30H,12,15,18H2,(H,27,29)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	449	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