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BDBM50224910 (S)-2-amino-N-((Z)-7-chloro-18-cyano-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,13,17,19-heptaen-8-yl)-propionamide::CHEMBL250173

SMILES: C[C@H](N)C(=O)Nc1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N

InChI Key: InChIKey=BEDVLUBCZFHNBK-ZMWSMAPVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224910   
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))
BDBM50224910
PNG
((S)-2-amino-N-((Z)-7-chloro-18-cyano-3-oxo-11,16-d...)
Show SMILES C[C@H](N)C(=O)Nc1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N |c:11|
Show InChI InChI=1S/C19H18ClN7O4/c1-10(22)17(28)24-12-7-15-13(6-11(12)20)25-19(29)27-16-9-23-14(8-21)18(26-16)31-5-3-2-4-30-15/h2-3,6-7,9-10H,4-5,22H2,1H3,(H,24,28)(H2,25,26,27,29)/b3-2-/t10-/m0/s1
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MMDB

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PC cid
PC sid
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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