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SMILES: CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCN3CCS(=O)(=O)CC3)cc12)C#N

InChI Key: InChIKey=XBLAPMPMKLEWHJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344655   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50344655
PNG
(8-[2-(1,1-Dioxo-1lambda-6-thiomorpholin-4-yl)-etho...)
Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCN3CCS(=O)(=O)CC3)cc12)C#N
Show InChI InChI=1S/C25H25N3O4S/c1-25(2)20-14-17(32-10-7-28-8-11-33(30,31)12-9-28)4-6-18(20)23(29)22-19-5-3-16(15-26)13-21(19)27-24(22)25/h3-6,13-14,27H,7-12H2,1-2H3
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KEGG

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Similars
Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ALK assessed as biotin-EGPWLEEEEEAYGWMDF peptide phosphorylation by TR-FRET assay

Bioorg Med Chem Lett 21: 3788-93 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.04.020
BindingDB Entry DOI: 10.7270/Q2Q81DF2
More data for this
Ligand-Target Pair