BDBM152692 Thiol-SAHA (t-SAHA)

SMILES: SCCCCCCC(=O)Nc1ccccc1

InChI Key: InChIKey=CFKBMXXDXYFDET-UHFFFAOYSA-N

Data: 12 IC50  1 ITC

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 12 hits for monomerid = 152692   

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 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description In vitro inhibitory activity against human histone deacetylase (HDAC) using HeLa nuclear extract				Bioorg Med Chem Lett 14: 3313-7 (2004) BindingDB Entry DOI: 10.7270/Q28054SZ
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using fluorogenic tetrapeptide RHK(Ac)K(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibitory concentration against human histone deacetylase				J Med Chem 48: 1019-32 (2005) Article DOI: 10.1021/jm049207j BindingDB Entry DOI: 10.7270/Q25T3P70
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...				Eur J Med Chem 109: 350-9 (2016) BindingDB Entry DOI: 10.7270/Q20C4XM5
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition meas...				Eur J Med Chem 109: 350-9 (2016) BindingDB Entry DOI: 10.7270/Q20C4XM5
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mi...				Eur J Med Chem 109: 350-9 (2016) BindingDB Entry DOI: 10.7270/Q20C4XM5
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA)) Show SMILES SCCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C13H19NOS/c15-13(10-6-1-2-7-11-16)14-12-8-4-3-5-9-12/h3-5,8-9,16H,1-2,6-7,10-11H2,(H,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay				J Med Chem 57: 8358-77 (2014) Article DOI: 10.1021/jm5008209 BindingDB Entry DOI: 10.7270/Q2JW8GGN
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 152692

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Histone deacetylase 8 (HDAC8) (Homo sapiens (Human))	BDBM152692 (Thiol-SAHA (t-SAHA))	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-7.40	-0.251	-4.51	5.62	7.5	-248
North Dakota State University					Biochemistry 53: 7445-58 (2014)