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SMILES: CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1

InChI Key: InChIKey=VDMMUFCRWKQCLB-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50502416   
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
Histone-lysine N-methyltransferase SMYD3


(Homo sapiens (Human))		BDBM50502416
PNG
(CHEMBL4472455)
Show SMILES CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c1ccc2c(Cl)cc(nc2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H26ClN3O3/c1-3-13-32-25(31)29-12-11-28(16-17(29)2)24(30)19-9-10-20-21(26)15-22(27-23(20)14-19)18-7-5-4-6-8-18/h4-10,14-15,17H,3,11-13,16H2,1-2H3/t17-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Experimental Drug Development Centre

Curated by ChEMBL


Assay Description
Inhibition of SMYD3 (unknown origin) using MAP3K2 peptide as substrate pretreated for 30 mins followed by substrate addition and measured after 30 mi...

ACS Med Chem Lett 10: 978-984 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00170
More data for this
Ligand-Target Pair