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BDBM50224899 (Z)-8-[bis-(2-hydroxy-ethyl)-amino]-7-chloro-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-heptaene-18-carbonitrile::CHEMBL437772

SMILES: OCCN(CCO)c1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N

InChI Key: InChIKey=QQSHLOWMJSZWRH-UPHRSURJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224899   
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))
BDBM50224899
PNG
((Z)-8-[bis-(2-hydroxy-ethyl)-amino]-7-chloro-3-oxo...)
Show SMILES OCCN(CCO)c1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N |c:12|
Show InChI InChI=1S/C20H21ClN6O5/c21-13-9-14-17(10-16(13)27(3-5-28)4-6-29)31-7-1-2-8-32-19-15(11-22)23-12-18(25-19)26-20(30)24-14/h1-2,9-10,12,28-29H,3-8H2,(H2,24,25,26,30)/b2-1-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/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