BDBM50397004 CHEMBL2170981

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)c2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=LISRMVGDHJMLKQ-KHTYJDQRSA-N

Data: 1 KI

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 = 50397004   

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))	BDBM50397004 (CHEMBL2170981) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)c2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24N6O4S/c21-17-14-18(24-10-23-17)26(11-25-14)20-16(28)15(27)13(30-20)9-31-8-4-7-22-19(29)12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,20,27-28H,4,7-9H2,(H,22,29)(H2,21,23,24)/t13-,15-,16-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter				J Med Chem 55: 8066-74 (2012) Article DOI: 10.1021/jm300917h BindingDB Entry DOI: 10.7270/Q2TD9ZGG
					More data for this Ligand-Target Pair