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BDBM50121882 CHEMBL3617285

SMILES: Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCCN1CCOCC1

InChI Key: InChIKey=GLTQZHKFZSMSLI-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50121882   
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
Deoxyribonuclease-1


(Homo sapiens (Human))
BDBM50121882
PNG
(CHEMBL3617285)
Show SMILES Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C15H18N4O4S/c20-12-11(14(21)16-3-4-19-5-7-23-8-6-19)17-13(18-15(12)22)10-2-1-9-24-10/h1-2,9,20H,3-8H2,(H,16,21)(H,17,18,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.89E+4n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of DNAse1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121882
PNG
(CHEMBL3617285)
Show SMILES Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C15H18N4O4S/c20-12-11(14(21)16-3-4-19-5-7-23-8-6-19)17-13(18-15(12)22)10-2-1-9-24-10/h1-2,9,20H,3-8H2,(H,16,21)(H,17,18,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair