BindingDB logo
myBDB logout

null

SMILES: NC(=O)c1cnc(N[C@@H]2CCNC2)n2cc(nc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=OYYYERXDJYFSLJ-GFCCVEGCSA-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 = 50433773   
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))		BDBM50433773
PNG
(CHEMBL2381608)
Show SMILES NC(=O)c1cnc(N[C@@H]2CCNC2)n2cc(nc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H17ClN6O/c18-11-3-1-10(2-4-11)14-9-24-16(23-14)13(15(19)25)8-21-17(24)22-12-5-6-20-7-12/h1-4,8-9,12,20H,5-7H2,(H2,19,25)(H,21,22)/t12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 4.21E+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