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BDBM50224912 ((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)-carbamic acid 2-morpholin-4-yl-ethyl ester::CHEMBL400668

SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1NC(=O)OCCN1CCOCC1)n3

InChI Key: InChIKey=DGLVFUGIKGSLJR-UPHRSURJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224912   
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))
BDBM50224912
PNG
(((Z)-7-chloro-18-cyano-3-oxo-11,16-dioxa-2,4,19,21...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1NC(=O)OCCN1CCOCC1)n3 |c:17|
Show InChI InChI=1S/C23H24ClN7O6/c24-15-11-17-19(12-16(15)28-23(33)37-10-5-31-3-8-34-9-4-31)35-6-1-2-7-36-21-18(13-25)26-14-20(29-21)30-22(32)27-17/h1-2,11-12,14H,3-10H2,(H,28,33)(H2,27,29,30,32)/b2-1-
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PC cid
PC sid
UniChem
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