BDBM50397014 CHEMBL2170971

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCc2ccncc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=DVGNXNWESGQUQH-XNIJJKJLSA-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 = 50397014   

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))	BDBM50397014 (CHEMBL2170971) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNCc2ccncc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H19N7O3/c17-14-11-15(21-7-20-14)23(8-22-11)16-13(25)12(24)10(26-16)6-19-5-9-1-3-18-4-2-9/h1-4,7-8,10,12-13,16,19,24-25H,5-6H2,(H2,17,20,21)/t10-,12-,13-,16-/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