BDBM50397005 CHEMBL2170980

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Cc2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=QQWPAOUSCXGRRF-HAXDFEGKSA-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 = 50397005   

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))	BDBM50397005 (CHEMBL2170980) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Cc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H26N6O4S/c22-19-16-20(25-11-24-19)27(12-26-16)21-18(30)17(29)14(31-21)10-32-8-4-7-23-15(28)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14,17-18,21,29-30H,4,7-10H2,(H,23,28)(H2,22,24,25)/t14-,17-,18-,21-/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