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BDBM50224897 CHEMBL398875::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)-isonicotinamide

SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1NC(=O)c1ccncc1)n3

InChI Key: InChIKey=IVOYMCWHZZGCMC-UPHRSURJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224897   
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))
BDBM50224897
PNG
(CHEMBL398875 | N-((Z)-7-chloro-18-cyano-3-oxo-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1NC(=O)c1ccncc1)n3 |c:17|
Show InChI InChI=1S/C22H16ClN7O4/c23-14-9-16-18(10-15(14)27-20(31)13-3-5-25-6-4-13)33-7-1-2-8-34-21-17(11-24)26-12-19(29-21)30-22(32)28-16/h1-6,9-10,12H,7-8H2,(H,27,31)(H2,28,29,30,32)/b2-1-
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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