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SMILES: COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCN(C)CC1

InChI Key: InChIKey=BDEJDZZDQGTVBN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 196861   
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))		BDBM196861
PNG
(US9212192, 24)
Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C29H32Cl2N8O3/c1-37-12-14-38(15-13-37)10-8-34-29(41)18-6-7-22(23(16-18)42-2)35-27-25(26(32)40)28-33-9-11-39(28)24(36-27)17-19-20(30)4-3-5-21(19)31/h3-7,9,11,16,35H,8,10,12-15,17H2,1-2H3,(H2,32,40)(H,34,41)
PDB

KEGG

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
 7 -11.1n/an/an/an/an/a7.425



AbbVie Inc.

US Patent


Assay Description
ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...

US Patent US9212192 (2015)


BindingDB Entry DOI: 10.7270/Q2D79971
More data for this
Ligand-Target Pair