BDBM50443026 CHEMBL3087636

SMILES: CN(CCCNC(=O)OCC1c2ccccc2-c2ccccc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12

InChI Key: InChIKey=TVKJKKLGQJCFQK-GSTLAZBSSA-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 = 50443026   

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))	BDBM50443026 (CHEMBL3087636) Show SMILES CN(CCCNC(=O)OCC1c2ccccc2-c2ccccc12)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r| Show InChI InChI=1S/C30H34N6O5/c1-35(15-24-25(37)26(38)29(41-24)36-14-11-22-27(31)33-17-34-28(22)36)13-6-12-32-30(39)40-16-23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-5,7-11,14,17,23-26,29,37-38H,6,12-13,15-16H2,1H3,(H,32,39)(H2,31,33,34)/t24-,25-,26-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	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 Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor				J Med Chem 56: 8972-83 (2013) Article DOI: 10.1021/jm4007752 BindingDB Entry DOI: 10.7270/Q2D50PDQ
					More data for this Ligand-Target Pair