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SMILES: COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50551593   

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))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length C-terminal FLAG-His tagged HDAC1 (1 to 482 residues) expressed in Sf21 insect cells using RHK-K(Ac)-AMC a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in baculovirus infected insect cells using RHKKAc-AMC as su...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC8 using RHKAcKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at serotonin 5HT2A receptor assessed as effect on 5HT-induced isometric contractile force in isolated rings of pig coronary arter...				Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50551593 (CHEMBL4749443) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccccc1NCc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant HDAC3/NCOR2 using RHKKAc-AMC as substrate measured after 60 mins by fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112158 BindingDB Entry DOI: 10.7270/Q2T72N3F
					More data for this Ligand-Target Pair