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SMILES: CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC

InChI Key: InChIKey=YQCJXICGINBQLU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 468613   

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))	BDBM468613 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+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))	BDBM468613 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90E+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 3 (Homo sapiens (Human))	BDBM468613 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	420	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 8 (Homo sapiens (Human))	BDBM468613 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90E+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 6 (Homo sapiens (Human))	US11731934, Compound SR-4373 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	US11731934, Compound SR-4373 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	US11731934, Compound SR-4373 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	US11731934, Compound SR-4373 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	US11731934, Compound SR-4373 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM468613 (US10807944, Compound SR-4373) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(ccc1F)C(=O)OCC Show InChI InChI=1S/C20H23FN2O3/c1-3-5-12-22-23-19(24)15-8-6-14(7-9-15)17-13-16(10-11-18(17)21)20(25)26-4-2/h6-11,13,22H,3-5,12H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.50E+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