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SMILES: CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCc2ccc(F)cc2)c1C#N

InChI Key: InChIKey=IQPDOUJLTIQQNF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 491491   
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))		BDBM491491
PNG
(US10975056, Example 474)
Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCc2ccc(F)cc2)c1C#N
Show InChI InChI=1S/C29H29FN6OS/c1-2-23-24(16-31)28(36-14-12-22(13-15-36)34-18-19-8-10-21(30)11-9-19)35-29(25(23)17-32)38-26(27(33)37)20-6-4-3-5-7-20/h3-11,22,26,34H,2,12-15,18H2,1H3,(H2,33,37)
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