BDBM50255468 CHEMBL515292::N-(2-aminophenyl)-4-((4-(3-(2-morpholinoethoxy)phenyl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccc(OCCN3CCOCC3)c2)cc1

InChI Key: InChIKey=NDDLPGHISFUURP-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 = 50255468   

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))	BDBM50255468 (CHEMBL515292 | N-(2-aminophenyl)-4-((4-(3-(2-morph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccc(OCCN3CCOCC3)c2)cc1 Show InChI InChI=1S/C30H32N6O3/c31-26-6-1-2-7-28(26)34-29(37)23-10-8-22(9-11-23)21-33-30-32-13-12-27(35-30)24-4-3-5-25(20-24)39-19-16-36-14-17-38-18-15-36/h1-13,20H,14-19,21,31H2,(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	140	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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