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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM491489'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM491489
PNG
(US10975056, Example 472)
Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N2CCC(CC2)N2[C@H](C)CC[C@H]2C)c1C#N |r|
Show InChI InChI=1S/C28H34N6OS/c1-4-22-23(16-29)27(33-14-12-21(13-15-33)34-18(2)10-11-19(34)3)32-28(24(22)17-30)36-25(26(31)35)20-8-6-5-7-9-20/h5-9,18-19,21,25H,4,10-15H2,1-3H3,(H2,31,35)/t18-,19-,25?/m1/s1
PDB

UniProtKB/SwissProt

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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