BDBM50278466 CHEMBL470421::pyridin-3-ylmethyl 4-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)benzyl(methyl)phosphinate

SMILES: CP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCc1cccnc1

InChI Key: InChIKey=YUGYFUOJZVHTHY-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 = 50278466   

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))	BDBM50278466 (CHEMBL470421 | pyridin-3-ylmethyl 4-(2-amino-5-(th...) Show SMILES CP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCc1cccnc1 Show InChI InChI=1S/C25H24N3O3PS/c1-32(30,31-16-19-4-2-12-27-15-19)17-18-6-8-20(9-7-18)25(29)28-23-14-21(10-11-22(23)26)24-5-3-13-33-24/h2-15H,16-17,26H2,1H3,(H,28,29)	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	3.5	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