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BDBM50224907 CHEMBL248554::[1,4']pipiperidinyl-1'-carboxylic acid (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 ester

SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1OC(=O)N1CCC(CC1)N1CCCCC1)n3

InChI Key: InChIKey=SSFMBTNLACBEBB-PLNGDYQASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50224907   
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))
BDBM50224907
PNG
(CHEMBL248554 | [1,4']pipiperidinyl-1'-carboxylic a...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1OC(=O)N1CCC(CC1)N1CCCCC1)n3 |c:17|
Show InChI InChI=1S/C27H30ClN7O5/c28-19-14-20-23(15-22(19)40-27(37)35-10-6-18(7-11-35)34-8-2-1-3-9-34)38-12-4-5-13-39-25-21(16-29)30-17-24(32-25)33-26(36)31-20/h4-5,14-15,17-18H,1-3,6-13H2,(H2,31,32,33,36)/b5-4-
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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