null

SMILES: Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1

InChI Key: InChIKey=STMBXLNGRWZRFX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 27774   

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 1 (Homo sapiens (Human))	BDBM27774 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1 Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					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 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27774 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1 Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.62E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					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 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair