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SMILES: CNC(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1

InChI Key: InChIKey=LXVZXBJRLLHSFZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 213169   

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))	BDBM213169 (US9278963, 016) Show SMILES CNC(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22)	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	170	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM213169 (US9278963, 016) Show SMILES CNC(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22)	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	1.70	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM213169 (US9278963, 016) Show SMILES CNC(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22)	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	987	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM213169 (US9278963, 016) Show SMILES CNC(=O)N1CCC(CC1)(Nc1ncc(cn1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H22N6O3/c1-19-17(26)24-9-7-18(8-10-24,14-5-3-2-4-6-14)22-16-20-11-13(12-21-16)15(25)23-27/h2-6,11-12,27H,7-10H2,1H3,(H,19,26)(H,23,25)(H,20,21,22)	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	207	n/a	n/a	n/a	n/a	7.4	25
Acetylon Pharmaceuticals, Inc. US Patent					Assay Description The compounds were diluted in assay buffer (50 mM HEPES, pH 7.4, 100 mM KCl, 0.001% Tween-20, 0.05% BSA, 20 uM TCEP) to 6 fold their final concentrat...				US Patent US9278963 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M0K
					More data for this Ligand-Target Pair