BDBM50229200 CHEMBL251817::N-(2-amino-5-(thiophen-2-yl)phenyl)-4-(butyramidomethyl)benzamide::US9096559, 38

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

InChI Key: InChIKey=OPGJYOJXMZIXKB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50229200   

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))	BDBM50229200 (CHEMBL251817 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229200 (CHEMBL251817 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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