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1 similar compounds to monomer 50309191

Wt: 348.4
BDBM50309190

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309190   
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))
BDBM50309190
PNG
(2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-Y...)
Show SMILES CN(C)CCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
Show InChI InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21)
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PC cid
PC sid
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Similars

MMDB
PDB
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 in human HT29 cells


Bioorg Med Chem 18: 707-18 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50309190
PNG
(2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-Y...)
Show SMILES CN(C)CCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
Show InChI InChI=1S/C16H20N4O3S/c1-20(2)4-3-18-16(21)11-7-10(8-19-15(11)17)14-13-12(9-24-14)22-5-6-23-13/h7-9H,3-6H2,1-2H3,(H2,17,19)(H,18,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


Bioorg Med Chem 18: 707-18 (2010)

More data for this
Ligand-Target Pair