BDBM50529548 CHEMBL4587469

SMILES: CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2ncccn2)c1

InChI Key: InChIKey=LHFUEOZQAMVTLR-QFIPXVFZSA-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 = 50529548   

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))	BDBM50529548 (CHEMBL4587469) Show SMILES CS(=O)(=O)c1ccc(N[C@H](c2ccccn2)c2cccc(Cl)c2F)c(Nc2ncccn2)c1 |r| Show InChI InChI=1S/C23H19ClFN5O2S/c1-33(31,32)15-9-10-18(20(14-15)30-23-27-12-5-13-28-23)29-22(19-8-2-3-11-26-19)16-6-4-7-17(24)21(16)25/h2-14,22,29H,1H3,(H,27,28,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	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