null

SMILES: Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4ccccn4)cc3s2)cc1

InChI Key: InChIKey=JSFUWUVMPZEHJW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232649   

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))	BDBM50232649 (CHEMBL254310 | N-(2-aminophenyl)-4-((6-(pyridin-2-...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4ccccn4)cc3s2)cc1 Show InChI InChI=1S/C27H23N5OS2/c28-22-6-1-2-7-23(22)31-26(33)19-10-8-18(9-11-19)17-34-27-32-24-13-12-20(15-25(24)35-27)30-16-21-5-3-4-14-29-21/h1-15,30H,16-17,28H2,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 18: 1502-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.057 BindingDB Entry DOI: 10.7270/Q2416WT0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50232649 (CHEMBL254310 | N-(2-aminophenyl)-4-((6-(pyridin-2-...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4ccccn4)cc3s2)cc1 Show InChI InChI=1S/C27H23N5OS2/c28-22-6-1-2-7-23(22)31-26(33)19-10-8-18(9-11-19)17-34-27-32-24-13-12-20(15-25(24)35-27)30-16-21-5-3-4-14-29-21/h1-15,30H,16-17,28H2,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275				Bioorg Med Chem Lett 18: 1502-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.057 BindingDB Entry DOI: 10.7270/Q2416WT0
					More data for this Ligand-Target Pair