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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50007316   
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 SETD1B


(Homo sapiens)		BDBM50508569
PNG
(CHEMBL4557353)
Show SMILES CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of SETD1B (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alpha...

Bioorg Med Chem Lett 29: 638-645 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.035
BindingDB Entry DOI: 10.7270/Q26W9FC5
More data for this
Ligand-Target Pair