BDBM50372460 CHEMBL269908

SMILES: COc1cc(NC\C=C\c2ccc(cc2)C(=O)Nc2ccccc2N)cc(OC)c1OC

InChI Key: InChIKey=BWDLSBHUMSMURX-VOTSOKGWSA-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 = 50372460   

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))	BDBM50372460 (CHEMBL269908) Show SMILES COc1cc(NC\C=C\c2ccc(cc2)C(=O)Nc2ccccc2N)cc(OC)c1OC Show InChI InChI=1S/C25H27N3O4/c1-30-22-15-19(16-23(31-2)24(22)32-3)27-14-6-7-17-10-12-18(13-11-17)25(29)28-21-9-5-4-8-20(21)26/h4-13,15-16,27H,14,26H2,1-3H3,(H,28,29)/b7-6+	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 51: 1505-29 (2008) Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT
					More data for this Ligand-Target Pair