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BDBM50396987 CHEMBL2170998

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=QTNSZRSPWVSNCG-NVQRDWNXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50396987   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))		BDBM50396987
PNG
(CHEMBL2170998)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H24F3N7O5S/c22-21(23,24)36-12-4-2-11(3-5-12)30-20(34)26-6-1-7-37-8-13-15(32)16(33)19(35-13)31-10-29-14-17(25)27-9-28-18(14)31/h2-5,9-10,13,15-16,19,32-33H,1,6-8H2,(H2,25,27,28)(H2,26,30,34)/t13-,15-,16-,19-/m1/s1
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KEGG

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Similars
Article
PubMed
 140n/an/an/an/an/an/an/an/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