Compile Data Set for Download or QSAR

Found 12 hits of ic50 for monomerid = 163623   

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 3 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of C-terminal His-tagged recombinant human HDAC3 expressed in Sf9 cells pre-incubated for 2 hrs before acetylated lysine-aminom...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H70KFJ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
MUSC FOUNDATION FOR RESEARCH DEVELOPMENT US Patent					Assay Description Recombinant HDACs 1, 2, and 3 (BPS Biosciences) were diluted to a concentration of 1 nM in HDAC buffer. 10 uL of this solution was added in 96-well f...				US Patent US10870618 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZRH
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Research Foundation, Inc.; The Scripps Research Institute US Patent					Assay Description These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...				US Patent US10807944 (2020) BindingDB Entry DOI: 10.7270/Q2M048J6
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 [395-498] (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine; Northwest Agriculture and Forestry University					Assay Description Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395¿498)) were obtained from BPS ...				Chem Biol 22: 273-84 (2015) Article DOI: 10.1016/j.chembiol.2014.12.015 BindingDB Entry DOI: 10.7270/Q2TX3D48
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2445RM9
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Allosteric inhibition of HDAC3 in HEK293 cell lysates pre-incubated for 2 hrs before acetylated lysine-aminomethyl coumarin-BOC addition and measured...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H70KFJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2445RM9
					More data for this Ligand-Target Pair
Histone deacetylase 1/Nuclear receptor corepressor 2 [395-498] (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine; Northwest Agriculture and Forestry University					Assay Description Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395¿498)) were obtained from BPS ...				Chem Biol 22: 273-84 (2015) Article DOI: 10.1016/j.chembiol.2014.12.015 BindingDB Entry DOI: 10.7270/Q2TX3D48
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Research Foundation, Inc.; The Scripps Research Institute US Patent					Assay Description These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...				US Patent US10807944 (2020) BindingDB Entry DOI: 10.7270/Q2M048J6
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2445RM9
					More data for this Ligand-Target Pair
Histone deacetylase 2/Nuclear receptor corepressor 2 [395-498] (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine; Northwest Agriculture and Forestry University					Assay Description Purified HDAC1, HDAC2, and HDAC3 (in complex with the deacetylase activation domain of the human NCOR2 (amino acids 395¿498)) were obtained from BPS ...				Chem Biol 22: 273-84 (2015) Article DOI: 10.1016/j.chembiol.2014.12.015 BindingDB Entry DOI: 10.7270/Q2TX3D48
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM163623 (SR-3206 | US10807944, Compound RLS2-126 | US108706...) Show SMILES CCCCNNC(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Research Foundation, Inc.; The Scripps Research Institute US Patent					Assay Description These SAR data indicate that a tripartite structure of this scaffold with a central —C(O)—NH—NH— unit flanked by a phenyl group and a short aliphatic...				US Patent US10807944 (2020) BindingDB Entry DOI: 10.7270/Q2M048J6
					More data for this Ligand-Target Pair