BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1cnc(NCC2CCCNC2)n2cc(nc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=MDPIEVAHTVKPRT-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 = 50433771   
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))		BDBM50433771
PNG
(CHEMBL2381610)
Show SMILES NC(=O)c1cnc(NCC2CCCNC2)n2cc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN6O/c20-14-5-3-13(4-6-14)16-11-26-18(25-16)15(17(21)27)10-24-19(26)23-9-12-2-1-7-22-8-12/h3-6,10-12,22H,1-2,7-9H2,(H2,21,27)(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)

Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
BindingDB Entry DOI: 10.7270/Q2Z60QFW
More data for this
Ligand-Target Pair