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SMILES: CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1

InChI Key: InChIKey=RVPBGXMIWLAEPK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 468612   

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))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	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	760	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))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	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	1.20E+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))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	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	380	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))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	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	3.60E+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))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.70E+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 (Homo sapiens (Human))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	760	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 (Homo sapiens (Human))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20E+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 3 (Homo sapiens (Human))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	380	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 8 (Homo sapiens (Human))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.60E+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 6 (Homo sapiens (Human))	BDBM468612 (US10807944, Compound SR-4372 | US11731934, Compoun...) Show SMILES CCCCNNC(=O)c1ccc(cc1)-c1cc(C)cc(F)c1 Show InChI InChI=1S/C18H21FN2O/c1-3-4-9-20-21-18(22)15-7-5-14(6-8-15)16-10-13(2)11-17(19)12-16/h5-8,10-12,20H,3-4,9H2,1-2H3,(H,21,22)	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	3.70E+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