BDBM50385018 CHEMBL2035394

SMILES: COc1ccc(NC(=O)CNc2ccc(cc2)C(=O)Nc2ccccc2N)cc1

InChI Key: InChIKey=ZORHEMGLPROWQF-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 = 50385018   

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))	BDBM50385018 (CHEMBL2035394) Show SMILES COc1ccc(NC(=O)CNc2ccc(cc2)C(=O)Nc2ccccc2N)cc1 Show InChI InChI=1S/C22H22N4O3/c1-29-18-12-10-17(11-13-18)25-21(27)14-24-16-8-6-15(7-9-16)22(28)26-20-5-3-2-4-19(20)23/h2-13,24H,14,23H2,1H3,(H,25,27)(H,26,28)	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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guru Ghasidas University Curated by ChEMBL					Assay Description Inhibition of HDAC1 using Fluor de Lys as substrate by fluorescence analysis				Eur J Med Chem 53: 390-7 (2012) Article DOI: 10.1016/j.ejmech.2012.03.058 BindingDB Entry DOI: 10.7270/Q25M66QJ
					More data for this Ligand-Target Pair