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BDBM50224908 7-chloro-8-ethylamino-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,17,19-hexaene-18-carbonitrile::CHEMBL400575

SMILES: CCNc1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N

InChI Key: InChIKey=CDIBSJOCZFPTPQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224908   
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 Chk1


(Homo sapiens (Human))
BDBM50224908
PNG
(7-chloro-8-ethylamino-3-oxo-11,16-dioxa-2,4,19,21-...)
Show SMILES CCNc1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C18H19ClN6O3/c1-2-21-12-8-15-13(7-11(12)19)23-18(26)25-16-10-22-14(9-20)17(24-16)28-6-4-3-5-27-15/h7-8,10,21H,2-6H2,1H3,(H2,23,24,25,26)
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MMDB

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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)