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BDBM50309191 2-Amino-N-(2-aminoethyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)nicotinamide::CHEMBL599171

SMILES: NCCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12

InChI Key: InChIKey=RSXFSSZTSZFLPI-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50309191   
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))
BDBM50309191
PNG
(2-Amino-N-(2-aminoethyl)-5-(2,3-dihydrothieno[3,4-...)
Show SMILES NCCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
Show InChI InChI=1S/C14H16N4O3S/c15-1-2-17-14(19)9-5-8(6-18-13(9)16)12-11-10(7-22-12)20-3-4-21-11/h5-7H,1-4,15H2,(H2,16,18)(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


Bioorg Med Chem 18: 707-18 (2010)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50309191
PNG
(2-Amino-N-(2-aminoethyl)-5-(2,3-dihydrothieno[3,4-...)
Show SMILES NCCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
Show InChI InChI=1S/C14H16N4O3S/c15-1-2-17-14(19)9-5-8(6-18-13(9)16)12-11-10(7-22-12)20-3-4-21-11/h5-7H,1-4,15H2,(H2,16,18)(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50309191
PNG
(2-Amino-N-(2-aminoethyl)-5-(2,3-dihydrothieno[3,4-...)
Show SMILES NCCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
Show InChI InChI=1S/C14H16N4O3S/c15-1-2-17-14(19)9-5-8(6-18-13(9)16)12-11-10(7-22-12)20-3-4-21-11/h5-7H,1-4,15H2,(H2,16,18)(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
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