Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50248572'   

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))	BDBM50248572 (CHEMBL464718 | N-hydroxy-1-(3-hydroxypropyl)-2-phe...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(ccc12)C(=O)NO Show InChI InChI=1S/C19H21N3O3/c23-12-4-11-22-17-9-8-15(19(24)21-25)13-16(17)20-18(22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,23,25H,4,7,10-12H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	3.30E+3	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))	BDBM50248572 (CHEMBL464718 | N-hydroxy-1-(3-hydroxypropyl)-2-phe...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(ccc12)C(=O)NO Show InChI InChI=1S/C19H21N3O3/c23-12-4-11-22-17-9-8-15(19(24)21-25)13-16(17)20-18(22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,23,25H,4,7,10-12H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	3.30E+3	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))	BDBM50248572 (CHEMBL464718 | N-hydroxy-1-(3-hydroxypropyl)-2-phe...) Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(ccc12)C(=O)NO Show InChI InChI=1S/C19H21N3O3/c23-12-4-11-22-17-9-8-15(19(24)21-25)13-16(17)20-18(22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,23,25H,4,7,10-12H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.30E+3	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