BDBM19145 (2S)-2-[(tert-butylcarbamothioyl)amino]-N-cyclopentyl-7-sulfanylheptanamide::thiolate analogue, 36a

SMILES: CC(C)(C)NC(=S)N[C@@H](CCCCCS)C(=O)NC1CCCC1

InChI Key: InChIKey=VXMHHEQJZJBMRW-AWEZNQCLSA-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 = 19145   

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)	BDBM19145 ((2S)-2-[(tert-butylcarbamothioyl)amino]-N-cyclopen...) Show SMILES CC(C)(C)NC(=S)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H33N3OS2/c1-17(2,3)20-16(23)19-14(11-5-4-8-12-22)15(21)18-13-9-6-7-10-13/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H2,19,20,23)/t14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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))	BDBM19145 ((2S)-2-[(tert-butylcarbamothioyl)amino]-N-cyclopen...) Show SMILES CC(C)(C)NC(=S)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H33N3OS2/c1-17(2,3)20-16(23)19-14(11-5-4-8-12-22)15(21)18-13-9-6-7-10-13/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H2,19,20,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	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))	BDBM19145 ((2S)-2-[(tert-butylcarbamothioyl)amino]-N-cyclopen...) Show SMILES CC(C)(C)NC(=S)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H33N3OS2/c1-17(2,3)20-16(23)19-14(11-5-4-8-12-22)15(21)18-13-9-6-7-10-13/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H2,19,20,23)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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