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SMILES: C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCN2CCCC2C1)c1c(Cl)ccc(F)c1Cl

InChI Key: InChIKey=UVWOOYAWHQBILO-NNJIEVJOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 179293   
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))		BDBM179293
PNG
(US9126947, 13)
Show SMILES C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCN2CCCC2C1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C27H27Cl2FN6O3/c1-15(23-19(28)8-9-20(30)24(23)29)39-22-13-21(33-34-25(22)31)26(37)32-17-6-4-16(5-7-17)27(38)36-12-11-35-10-2-3-18(35)14-36/h4-9,13,15,18H,2-3,10-12,14H2,1H3,(H2,31,34)(H,32,37)/t15-,18?/m1/s1
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KEGG

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Similars
US Patent
n/an/a<1n/an/an/an/an/a32



Xcovery Holding Company LLC

US Patent


Assay Description
Assays were performed as described in Fabian et al. (2005) Nature Biotechnology, vol. 23, p. 329 and in Karaman et al. (2008) Nature Biotechnology, v...

US Patent US9126947 (2015)


BindingDB Entry DOI: 10.7270/Q2T152DH
More data for this
Ligand-Target Pair