BDBM50457639 CHEMBL4208421

SMILES: CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)C(=O)NO)n1

InChI Key: InChIKey=OGJTWTLOVZKAOI-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 = 50457639   

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 (Homo sapiens (Human))	BDBM50457639 (CHEMBL4208421) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)C(=O)NO)n1 Show InChI InChI=1S/C22H23N7O2/c1-13-5-6-15(11-18(13)21(30)27-31)24-22-23-10-9-20(25-22)28(3)16-7-8-17-14(2)29(4)26-19(17)12-16/h5-12,31H,1-4H3,(H,27,30)(H,23,24,25)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using fluorogenic Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrat...				J Med Chem 61: 5304-5322 (2018) BindingDB Entry DOI: 10.7270/Q2QV3Q3X
					More data for this Ligand-Target Pair