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BDBM50314486 9-(1-(2-methoxyethyl)piperidin-4-yloxy)-4,6-dihydro-1H-thiopyrano[3,4-c]quinolin-5(2H)-one::CHEMBL1092145

SMILES: COCCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1

InChI Key: InChIKey=XVVPYEHDUIZLSH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50314486   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50314486
PNG
(9-(1-(2-methoxyethyl)piperidin-4-yloxy)-4,6-dihydr...)
Show SMILES COCCN1CCC(CC1)Oc1ccc2[nH]c(=O)c3CSCCc3c2c1
Show InChI InChI=1S/C20H26N2O3S/c1-24-10-9-22-7-4-14(5-8-22)25-15-2-3-19-17(12-15)16-6-11-26-13-18(16)20(23)21-19/h2-3,12,14H,4-11,13H2,1H3,(H,21,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Jeil Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PARP1


Bioorg Med Chem Lett 20: 2250-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.014
BindingDB Entry DOI: 10.7270/Q25M65VX
More data for this
Ligand-Target Pair