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SMILES: [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)c1cnc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)s1

InChI Key: InChIKey=QUZXVLDRQWAUKY-IYBDPMFKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025676   
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))		BDBM50025676
PNG
(CHEMBL3330878)
Show SMILES [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)c1cnc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)s1 |r|
Show InChI InChI=1S/C24H28ClN7O3S2/c1-14(2)37(34,35)20-7-5-4-6-18(20)28-21-17(25)8-26-23(29-21)30-24-27-9-19(36-24)22(33)32-12-15-10-31(3)11-16(15)13-32/h4-9,14-16H,10-13H2,1-3H3,(H2,26,27,28,29,30)/t15-,16+
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KEGG

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PC cid
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Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica (SIMM)

Curated by ChEMBL


Assay Description
Inhibition of purified ALK (unknown origin) after 60 mins by ELISA kinase assay

Eur J Med Chem 86: 438-48 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.003
BindingDB Entry DOI: 10.7270/Q2G73GBS
More data for this
Ligand-Target Pair