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SMILES: CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCc2ccc(OC)nc2)c1C#N

InChI Key: InChIKey=JZLXWXHKODYZML-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 491484   
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))		BDBM491484
PNG
(US10975056, Example 467)
Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)NCc2ccc(OC)nc2)c1C#N
Show InChI InChI=1S/C29H31N7O2S/c1-3-22-23(15-30)28(35-29(24(22)16-31)39-26(27(32)37)20-7-5-4-6-8-20)36-13-11-21(12-14-36)33-17-19-9-10-25(38-2)34-18-19/h4-10,18,21,26,33H,3,11-14,17H2,1-2H3,(H2,32,37)
PDB

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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)


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