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SMILES: COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1OC

InChI Key: InChIKey=YTSGDLLYZKOIJW-ZHACJKMWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50522149   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522149 (CHEMBL4516302) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-5-3-4-16(19(17)25-2)13-20-12-15-8-6-14(7-9-15)10-11-18(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	602	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002
					More data for this Ligand-Target Pair
Histone deacetylase 1/2/3/8 (Homo sapiens (Human))	BDBM50522149 (CHEMBL4516302) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-5-3-4-16(19(17)25-2)13-20-12-15-8-6-14(7-9-15)10-11-18(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition Class 1 histone deacetylase in human HeLa nuclear extracts using Fluor-de- Lys-green substrate by fluorescence assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50522149 (CHEMBL4516302) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1OC Show InChI InChI=1S/C19H22N2O4/c1-24-17-5-3-4-16(19(17)25-2)13-20-12-15-8-6-14(7-9-15)10-11-18(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by fluorescence based assay				Bioorg Med Chem Lett 29: 2581-2586 (2019) Article DOI: 10.1016/j.bmcl.2019.08.002
					More data for this Ligand-Target Pair