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SMILES: NC(=O)c1c(Nc2ccc(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12

InChI Key: InChIKey=PKIAXUBUDFDWGQ-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 196864   
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))		BDBM196864
PNG
(US9212192, 27)
Show SMILES NC(=O)c1c(Nc2ccc(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12
Show InChI InChI=1S/C23H21Cl3N8O/c24-15-2-1-3-16(25)14(15)11-19-31-22(20(21(27)35)23-32-29-12-34(19)23)30-13-4-5-18(17(26)10-13)33-8-6-28-7-9-33/h1-5,10,12,28,30H,6-9,11H2,(H2,27,35)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
<1<-12.3n/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