BDBM50255470 CHEMBL480044::N-(2-aminophenyl)-4-((4-(3-(2-(dimethylamino)ethoxy)phenyl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: CN(C)CCOc1cccc(c1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1

InChI Key: InChIKey=LKGLUPJYARHGDQ-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 = 50255470   

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))	BDBM50255470 (CHEMBL480044 | N-(2-aminophenyl)-4-((4-(3-(2-(dime...) Show SMILES CN(C)CCOc1cccc(c1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C28H30N6O2/c1-34(2)16-17-36-23-7-5-6-22(18-23)25-14-15-30-28(33-25)31-19-20-10-12-21(13-11-20)27(35)32-26-9-4-3-8-24(26)29/h3-15,18H,16-17,19,29H2,1-2H3,(H,32,35)(H,30,31,33)	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	130	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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