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Compile Data Set for Download or QSAR

Found 2 hits of ic50 data for polymerid = 50006224   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase MLL2


(Homo sapiens (Human))
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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n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of MLL2 (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphali...


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


Article DOI: 10.1016/j.bmcl.2018.12.035
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase MLL2


(Homo sapiens (Human))
BDBM50400778
PNG
(CHEMBL2204995)
Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
Show InChI InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MLL2 using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins


ACS Med Chem Lett 3: 1091-1096 (2012)


Article DOI: 10.1021/ml3003346
BindingDB Entry DOI: 10.7270/Q2NK3G60
More data for this
Ligand-Target Pair