BDBM19146 methyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanylhexyl]carbamate::thiolate analogue, 37a

SMILES: COC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1

InChI Key: InChIKey=JTOYXAPQCNRTSP-LBPRGKRZSA-N

Data: 3 IC50

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 3 hits for monomerid = 19146   

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 (HDAC6) (Mus musculus)	BDBM19146 (methyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanyl...) Show SMILES COC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C14H26N2O3S/c1-19-14(18)16-12(9-3-2-6-10-20)13(17)15-11-7-4-5-8-11/h11-12,20H,2-10H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	37
Nagoya City University					Assay Description The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...				J Med Chem 50: 5425-38 (2007) Article DOI: 10.1021/jm7009217 BindingDB Entry DOI: 10.7270/Q2XK8CT6
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM19146 (methyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanyl...) Show SMILES COC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C14H26N2O3S/c1-19-14(18)16-12(9-3-2-6-10-20)13(17)15-11-7-4-5-8-11/h11-12,20H,2-10H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University					Assay Description The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...				J Med Chem 50: 5425-38 (2007) Article DOI: 10.1021/jm7009217 BindingDB Entry DOI: 10.7270/Q2XK8CT6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19146 (methyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanyl...) Show SMILES COC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C14H26N2O3S/c1-19-14(18)16-12(9-3-2-6-10-20)13(17)15-11-7-4-5-8-11/h11-12,20H,2-10H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1	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	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University					Assay Description The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...				J Med Chem 50: 5425-38 (2007) Article DOI: 10.1021/jm7009217 BindingDB Entry DOI: 10.7270/Q2XK8CT6
					More data for this Ligand-Target Pair