BDBM50443017 CHEMBL3087504

SMILES: CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1

InChI Key: InChIKey=IXJOUNOYAHCLFL-WGQQHEPDSA-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 = 50443017   

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))	BDBM50443017 (CHEMBL3087504) Show SMILES CC(C)(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 |r| Show InChI InChI=1S/C24H33N7O4S/c1-24(2,3)14-5-7-15(8-6-14)30-23(34)26-9-4-10-36-11-16-18(32)19(33)22(35-16)31-13-29-17-20(25)27-12-28-21(17)31/h5-8,12-13,16,18-19,22,32-33H,4,9-11H2,1-3H3,(H2,25,27,28)(H2,26,30,34)/t16-,18-,19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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