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BDBM50224911 7-chloro-8-(3-hydroxy-propoxy)-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::CHEMBL249156

SMILES: OCCCOc1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N

InChI Key: InChIKey=NMCGYGMTZYYDEQ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224911   
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))
BDBM50224911
PNG
(7-chloro-8-(3-hydroxy-propoxy)-3-oxo-11,16-dioxa-2...)
Show SMILES OCCCOc1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C19H20ClN5O5/c20-12-8-13-16(9-15(12)28-7-3-4-26)29-5-1-2-6-30-18-14(10-21)22-11-17(24-18)25-19(27)23-13/h8-9,11,26H,1-7H2,(H2,23,24,25,27)
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MMDB

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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