BDBM50529546 CHEMBL4456845

SMILES: CS(=O)(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=YAJDXDXGLKYEFM-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 = 50529546   

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-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50529546 (CHEMBL4456845) Show SMILES CS(=O)(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C19H16ClN3O4S/c1-28(26,27)15-8-9-16(18(12-15)23(24)25)22-19(17-7-2-3-10-21-17)13-5-4-6-14(20)11-13/h2-12,19,22H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of 0.5 nM DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosome as substrate and [3H]SAM as co-factor preincubated for ...				ACS Med Chem Lett 10: 1655-1660 (2019) Article DOI: 10.1021/acsmedchemlett.9b00452
					More data for this Ligand-Target Pair