BDBM50278307 CHEMBL469342::diethyl 3-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzylphosphonate

SMILES: CCOP(=O)(Cc1cccc(c1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC

InChI Key: InChIKey=JPQSJPDVUDVSLW-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 = 50278307   

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))	BDBM50278307 (CHEMBL469342 | diethyl 3-(2-amino-5-(thiophen-2-yl...) Show SMILES CCOP(=O)(Cc1cccc(c1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC Show InChI InChI=1S/C22H25N2O4PS/c1-3-27-29(26,28-4-2)15-16-7-5-8-18(13-16)22(25)24-20-14-17(10-11-19(20)23)21-9-6-12-30-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	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 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair