BDBM172804 US9096559, 36

SMILES: CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1

InChI Key: InChIKey=OPVGERYXUJNWTG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 172804   

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))	BDBM172804 (US9096559, 36) Show SMILES CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O2S/c1-13(24)22-12-14-4-6-15(7-5-14)20(25)23-18-11-16(8-9-17(18)21)19-3-2-10-26-19/h2-11H,12,21H2,1H3,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair