BDBM50255425 CHEMBL516236::N-(2-aminophenyl)-4-((4-(4-(2-morpholinoethoxy)phenyl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(OCCN3CCOCC3)cc2)cc1

InChI Key: InChIKey=JNQMEXNWVKEEEP-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 = 50255425   

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))	BDBM50255425 (CHEMBL516236 | N-(2-aminophenyl)-4-((4-(4-(2-morph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(OCCN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C30H32N6O3/c31-26-3-1-2-4-28(26)34-29(37)24-7-5-22(6-8-24)21-33-30-32-14-13-27(35-30)23-9-11-25(12-10-23)39-20-17-36-15-18-38-19-16-36/h1-14H,15-21,31H2,(H,34,37)(H,32,33,35)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Bioorg Med Chem Lett 19: 644-9 (2009) Article DOI: 10.1016/j.bmcl.2008.12.048 BindingDB Entry DOI: 10.7270/Q2PN95J1
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