BDBM50353241 CHEMBL1830402

SMILES: CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCNC1

InChI Key: InChIKey=SNHWQAPINSMLNB-SOFGYWHQSA-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 = 50353241   

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))	BDBM50353241 (CHEMBL1830402) Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1C1CCNC1 Show InChI InChI=1S/C18H24N4O2/c1-2-3-4-17-20-15-11-13(6-8-18(23)21-24)5-7-16(15)22(17)14-9-10-19-12-14/h5-8,11,14,19,24H,2-4,9-10,12H2,1H3,(H,21,23)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant HDAC1 using Fluor de Lys as substrate by fluorescence assay				J Med Chem 54: 4694-720 (2011) Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6
					More data for this Ligand-Target Pair