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SMILES: COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCNCC1

InChI Key: InChIKey=QGGDBRMPROSEEP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 196873   
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))		BDBM196873
PNG
(US9212192, 36)
Show SMILES COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCNCC1
Show InChI InChI=1S/C26H25Cl2N7O3/c1-38-20-13-15(26(37)34-10-7-30-8-11-34)5-6-19(20)32-24-22(23(29)36)25-31-9-12-35(25)21(33-24)14-16-17(27)3-2-4-18(16)28/h2-6,9,12-13,30,32H,7-8,10-11,14H2,1H3,(H2,29,36)
PDB

KEGG

UniProtKB/SwissProt

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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