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SMILES: [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cccc(-[#7]-[#6](=S)-[#7]-c2cccc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])c1

InChI Key: InChIKey=IEIFWPDVLLMQFL-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 34066   
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
Serine/threonine-protein kinase Chk2 [209-531,Q209M]


(Homo sapiens (Human))		BDBM34066
PNG
(NSC 177941)
Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cccc(-[#7]-[#6](=S)-[#7]-c2cccc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])c1 |w:2.2,24.25|
Show InChI InChI=1S/C19H24N10S/c1-11(26-28-17(20)21)13-5-3-7-15(9-13)24-19(30)25-16-8-4-6-14(10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/a7.223



NIH



Assay Description
The IMAP Screening Express Kit (Molecular Devices, Sunnyvale, CA) was used for the high-throughput screening experiments. Compounds from the Developm...

Mol Pharmacol 72: 876-84 (2007)


Article DOI: 10.1124/mol.107.035832
BindingDB Entry DOI: 10.7270/Q2J67F9Q
More data for this
Ligand-Target Pair		3D
3D Structure (docked)