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SMILES: CCc1c(C#N)c(S[C@H](C(N)=O)c2ccc(F)cc2)nc(N2CCC(CC2)N(C)C)c1C#N

InChI Key: InChIKey=JZULSOHKMKJPIN-NRFANRHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 491482   
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))		BDBM491482
PNG
(US10975056, Example 465)
Show SMILES CCc1c(C#N)c(S[C@H](C(N)=O)c2ccc(F)cc2)nc(N2CCC(CC2)N(C)C)c1C#N |r|
Show InChI InChI=1S/C24H27FN6OS/c1-4-18-19(13-26)23(31-11-9-17(10-12-31)30(2)3)29-24(20(18)14-27)33-21(22(28)32)15-5-7-16(25)8-6-15/h5-8,17,21H,4,9-12H2,1-3H3,(H2,28,32)/t21-/m0/s1
PDB

UniProtKB/SwissProt

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)


BindingDB Entry DOI: 10.7270/Q2VM4GCT
More data for this
Ligand-Target Pair