BDBM50255322 CHEMBL481795::N-(2-aminophenyl)-4-((4-(6-(2-(methoxymethoxy)propan-2-yl)pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: COCOC(C)(C)c1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1

InChI Key: InChIKey=HLOQFDAATGAIOL-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 = 50255322   

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))	BDBM50255322 (CHEMBL481795 | N-(2-aminophenyl)-4-((4-(6-(2-(meth...) Show SMILES COCOC(C)(C)c1ccc(cn1)-c1ccnc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C28H30N6O3/c1-28(2,37-18-36-3)25-13-12-21(17-31-25)23-14-15-30-27(34-23)32-16-19-8-10-20(11-9-19)26(35)33-24-7-5-4-6-22(24)29/h4-15,17H,16,18,29H2,1-3H3,(H,33,35)(H,30,32,34)	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	250	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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