BDBM50215002 4-(1,3-bis(benzylamino)-1,3-dioxopropan-2-yl)-N-(2-aminophenyl)benzamide::CHEMBL398333

SMILES: Nc1ccccc1NC(=O)c1ccc(cc1)C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=JCNLBLKOFBQIBL-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 = 50215002   

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))	BDBM50215002 (4-(1,3-bis(benzylamino)-1,3-dioxopropan-2-yl)-N-(2...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cc1)C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H28N4O3/c31-25-13-7-8-14-26(25)34-28(35)24-17-15-23(16-18-24)27(29(36)32-19-21-9-3-1-4-10-21)30(37)33-20-22-11-5-2-6-12-22/h1-18,27H,19-20,31H2,(H,32,36)(H,33,37)(H,34,35)	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	199	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in domain of SMRT				Bioorg Med Chem Lett 17: 4619-24 (2007) Article DOI: 10.1016/j.bmcl.2007.05.080 BindingDB Entry DOI: 10.7270/Q2WH2PPV
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