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BDBM50055889 CHEMBL3317913

SMILES: O=C(N1CCN(CC1)C(=O)c1cccs1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1

InChI Key: InChIKey=QLYSARPMVZIZST-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50055889   
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))
BDBM50055889
PNG
(CHEMBL3317913)
Show SMILES O=C(N1CCN(CC1)C(=O)c1cccs1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C23H20N4O3S2/c28-21-18-5-2-1-4-17(18)19(24-25-21)13-16-12-15(14-32-16)22(29)26-7-9-27(10-8-26)23(30)20-6-3-11-31-20/h1-6,11-12,14H,7-10,13H2,(H,25,28)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Beijing Institute of Pharmacology and Toxicology

Curated by ChEMBL


Assay Description
Inhibition of human PARP1


Bioorg Med Chem Lett 24: 3739-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.001
BindingDB Entry DOI: 10.7270/Q2125VBB
More data for this
Ligand-Target Pair