BDBM50397003 CHEMBL2170982

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=WVMXDZOQYTUQOW-AGFSROSKSA-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 = 50397003   

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))	BDBM50397003 (CHEMBL2170982) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)c2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H26N6O4S/c25-21-18-22(28-12-27-21)30(13-29-18)24-20(32)19(31)17(34-24)11-35-9-3-8-26-23(33)16-7-6-14-4-1-2-5-15(14)10-16/h1-2,4-7,10,12-13,17,19-20,24,31-32H,3,8-9,11H2,(H,26,33)(H2,25,27,28)/t17-,19-,20-,24-/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