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SMILES: CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(N)=O)-c1ccccc1

InChI Key: InChIKey=RVYVJCCNRXPPPV-WKULSOCRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291378   
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


(Homo sapiens (Human))		BDBM50291378
PNG
(CHEMBL4168756)
Show SMILES CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C27H23N7O3/c1-16-22(15-29-32-17(2)35)27(34(33-16)20-6-4-3-5-7-20)37-21-11-8-18(9-12-21)26-30-23-13-10-19(25(28)36)14-24(23)31-26/h3-15H,1-2H3,(H2,28,36)(H,30,31)(H,32,35)/b29-15+
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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis

Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair