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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50212793   
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
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))		BDBM50212793
PNG
(1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-1...)
Show SMILES NC(=O)CCn1c(NC(=O)c2ccccc2)nc2cc(ccc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H27N5O3/c25-21(30)13-14-29-20-12-11-17(23(32)26-18-9-5-2-6-10-18)15-19(20)27-24(29)28-22(31)16-7-3-1-4-8-16/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13-14H2,(H2,25,30)(H,26,32)(H,27,28,31)
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Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ITK by DELFIA assay

Bioorg Med Chem Lett 17: 3660-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.045
BindingDB Entry DOI: 10.7270/Q2CV4HF6
More data for this
Ligand-Target Pair