null

SMILES: C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1

InChI Key: InChIKey=BOZZDVHKSLWIQS-SECBINFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 25168   

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 6 (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	37
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 4 [653-1084,H976Y] (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM25168 (2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-...) Show SMILES C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C14H14N2O3S/c1-9(10-5-3-2-4-6-10)15-13(17)11-7-8-12(20-11)14(18)16-19/h2-9,19H,1H3,(H,15,17)(H,16,18)/t9-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
IRBM/Merck					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 18: 3456-61 (2008) Article DOI: 10.1016/j.bmcl.2008.02.026 BindingDB Entry DOI: 10.7270/Q2MS3R28
					More data for this Ligand-Target Pair