BDBM50522147 CHEMBL4573804

SMILES: COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1

InChI Key: InChIKey=YUQOPOSXZAPAHJ-MDZDMXLPSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50522147   

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 1/2/3/8 (Homo sapiens (Human))	BDBM50522147 (CHEMBL4573804) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-4-2-3-16(11-17)13-19-12-15-7-5-14(6-8-15)9-10-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b10-9+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	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))	BDBM50522147 (CHEMBL4573804) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-4-2-3-16(11-17)13-19-12-15-7-5-14(6-8-15)9-10-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b10-9+	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	819	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522147 (CHEMBL4573804) Show SMILES COc1cccc(CNCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C18H20N2O3/c1-23-17-4-2-3-16(11-17)13-19-12-15-7-5-14(6-8-15)9-10-18(21)20-22/h2-11,19,22H,12-13H2,1H3,(H,20,21)/b10-9+	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	463	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