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SMILES: CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1

InChI Key: InChIKey=NLOBUAIGXIPFAV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50363653   
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 Chk2


(Homo sapiens (Human))
BDBM50363653
PNG
(CHEMBL1944822)
Show SMILES CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:10.21,t:4|
Show InChI InChI=1S/C20H21N5O2/c1-2-9-22-20-24-16(19(27)25-20)13-8-10-21-18(26)17-14(13)11-15(23-17)12-6-4-3-5-7-12/h3-7,11,23H,2,8-10H2,1H3,(H,21,26)(H2,22,24,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 156n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human Chk2 using STK1 as substrate after 10 mins by HTRF assay


Bioorg Med Chem 20: 1475-81 (2012)


Article DOI: 10.1016/j.bmc.2011.12.054
BindingDB Entry DOI: 10.7270/Q20865RK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50363653
PNG
(CHEMBL1944822)
Show SMILES CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:10.21,t:4|
Show InChI InChI=1S/C20H21N5O2/c1-2-9-22-20-24-16(19(27)25-20)13-8-10-21-18(26)17-14(13)11-15(23-17)12-6-4-3-5-7-12/h3-7,11,23H,2,8-10H2,1H3,(H,21,26)(H2,22,24,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Michigan State University

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 using STK1 as substrate after 10 mins by HTRF assay


Bioorg Med Chem 20: 1475-81 (2012)


Article DOI: 10.1016/j.bmc.2011.12.054
BindingDB Entry DOI: 10.7270/Q20865RK
More data for this
Ligand-Target Pair