BDBM50255376 CHEMBL480430::N-(2-aminophenyl)-4-((4-(6-(morpholine-4-carbonyl)pyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide

SMILES: Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(nc2)C(=O)N2CCOCC2)cc1

InChI Key: InChIKey=PLZZBEPLVKUVRZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255376   

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))	BDBM50255376 (CHEMBL480430 | N-(2-aminophenyl)-4-((4-(6-(morphol...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2ccc(nc2)C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C28H27N7O3/c29-22-3-1-2-4-24(22)33-26(36)20-7-5-19(6-8-20)17-32-28-30-12-11-23(34-28)21-9-10-25(31-18-21)27(37)35-13-15-38-16-14-35/h1-12,18H,13-17,29H2,(H,33,36)(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
					More data for this Ligand-Target Pair