BindingDB logo
myBDB logout

null

SMILES: O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)N1CCc2nc[nH]c2C1

InChI Key: InChIKey=ODJGVAOHUSSOCK-UHFFFAOYSA-N

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 = 50433513   
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))		BDBM50433513
PNG
(CHEMBL2381235)
Show SMILES O=C(Nc1ccccc1N1CCNCC1)c1csc(n1)N1CCc2nc[nH]c2C1
Show InChI InChI=1S/C20H23N7OS/c28-19(24-15-3-1-2-4-18(15)26-9-6-21-7-10-26)17-12-29-20(25-17)27-8-5-14-16(11-27)23-13-22-14/h1-4,12-13,21H,5-11H2,(H,22,23)(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate af...

Bioorg Med Chem Lett 23: 2590-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.108
BindingDB Entry DOI: 10.7270/Q2125V19
More data for this
Ligand-Target Pair