BDBM50246033 2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl}thiophen-2-yl)ethanone::2,2,2-trifluoro-1-(5-(3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone::CHEMBL512516

SMILES: CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F

InChI Key: InChIKey=AQCULNMHTOBDQM-UHFFFAOYSA-N

Data: 7 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50246033   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HCT116 cells assessed as inhibition of alpha-tubulin deacetylation				Bioorg Med Chem Lett 18: 6083-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of His-tagged HDAC4 catalytic domain (unknown origin) expressed in Escherichia coli				Bioorg Med Chem Lett 18: 6083-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 18: 6083-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 18: 6083-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	640	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HCT116 cells assessed as alpha-tubulin hyperacetylation after 24 hrs				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human HCT116 cells assessed as inhibition of histone-H3 deacetylation after 24 hrs				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50246033 (2,2,2-Trifluoro-1-(5-{3-[(methylsulfonyl)methyl]-1...) Show SMILES CS(=O)(=O)Cc1noc(n1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C10H7F3N2O4S2/c1-21(17,18)4-7-14-9(19-15-7)6-3-2-5(20-6)8(16)10(11,12)13/h2-3H,4H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Bioorg Med Chem Lett 18: 6083-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.076 BindingDB Entry DOI: 10.7270/Q2TD9X6G
					More data for this Ligand-Target Pair