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SMILES: COc1ccc(cc1)-n1nnc2c(nc(CC3CCCCC3)nc12)N1CCCC(O)C1

InChI Key: InChIKey=HWUIXNWRPBFWNB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397595   
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
Cell division related protein kinase 2


(Leishmania major)		BDBM50397595
PNG
(CHEMBL2171512)
Show SMILES COc1ccc(cc1)-n1nnc2c(nc(CC3CCCCC3)nc12)N1CCCC(O)C1
Show InChI InChI=1S/C23H30N6O2/c1-31-19-11-9-17(10-12-19)29-23-21(26-27-29)22(28-13-5-8-18(30)15-28)24-20(25-23)14-16-6-3-2-4-7-16/h9-12,16,18,30H,2-8,13-15H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay

Bioorg Med Chem Lett 22: 6788-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.044
BindingDB Entry DOI: 10.7270/Q26H4JJZ
More data for this
Ligand-Target Pair