new BindingDB logo
myBDB logout

BDBM91857 Chk1_133

SMILES: COc1cc2Cc3c(n[nH]c3-c2cc1OCC[NH+]1CCCCC1)-c1ccc(cc1)-c1ccc(O)cc1

InChI Key: InChIKey=OUIHDYRODZRVIH-UHFFFAOYSA-O

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 91857   
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))
BDBM91857
PNG
(Chk1_133)
Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OCC[NH+]1CCCCC1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C30H31N3O3/c1-35-27-18-23-17-26-29(22-7-5-20(6-8-22)21-9-11-24(34)12-10-21)31-32-30(26)25(23)19-28(27)36-16-15-33-13-3-2-4-14-33/h5-12,18-19,34H,2-4,13-17H2,1H3,(H,31,32)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair