BindingDB logo
myBDB logout

null

SMILES: CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCCCC2)c1C#N

InChI Key: InChIKey=WSRKQFVILNOYDU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 491495   
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))		BDBM491495
PNG
(US10975056, Example 478)
Show SMILES CCc1c(C#N)c(SC(C(N)=O)c2ccccc2)nc(N(C)CCN2CCCCC2)c1C#N
Show InChI InChI=1S/C25H30N6OS/c1-3-19-20(16-26)24(30(2)14-15-31-12-8-5-9-13-31)29-25(21(19)17-27)33-22(23(28)32)18-10-6-4-7-11-18/h4,6-7,10-11,22H,3,5,8-9,12-15H2,1-2H3,(H2,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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