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SMILES: CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)OCCOC(=O)[C@@H](N)C(C)C)c1C#N

InChI Key: InChIKey=XNCLRLFHOVALAF-SKCDSABHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 491209   
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
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))		BDBM491209
PNG
(US10975056, Example 153)
Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)OCCOC(=O)[C@@H](N)C(C)C)c1C#N |r|
Show InChI InChI=1S/C29H36N6O4S/c1-4-21-22(16-30)27(34-28(23(21)17-31)40-25(26(33)36)19-8-6-5-7-9-19)35-12-10-20(11-13-35)38-14-15-39-29(37)24(32)18(2)3/h5-9,18,20,24-25H,4,10-15,32H2,1-3H3,(H2,33,36)/t24-,25?/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a<320n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited; Cancer Research Technology Ltd.

US Patent


Assay Description
Biochemical activity of DNMT1 analyzed using SPA technology. Plates (Griener 784075) were pre-stamped with 100 nL/well of compound (11-point, 3-fold ...

US Patent US10975056 (2021)

More data for this
Ligand-Target Pair