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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50006656   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50501645
PNG
(CHEMBL4084281)
Show SMILES Fc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1
Show InChI InChI=1S/C16H10FN7S/c17-11-5-3-4-10(8-11)15-21-24-14(19-20-16(24)25-15)9-23-13-7-2-1-6-12(13)18-22-23/h1-8H,9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.73E+4n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal 6His-tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) after 150 secs by SPR-based bindin...

J Med Chem 60: 2026-2036 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01785
BindingDB Entry DOI: 10.7270/Q2SX6H7P
More data for this
Ligand-Target Pair